5311254
  -OEChem-10101305032D

 44 47  0     1  0  0  0  0  0999 V2000
    4.3211    0.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8851    3.8186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.5211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.4825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.2873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0896    3.5791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5421    2.6873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9599    4.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4124    3.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917    1.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2297    0.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9346    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -4.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7051    4.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9267    1.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    4.4939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7287    4.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6436    2.7708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9770    3.6021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2072    1.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2431    0.8115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3256    0.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8497    0.7357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1272    4.7185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3453    4.3218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7420    3.5399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -0.9825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -4.4304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815   -4.8271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783   -4.0452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  0  0  0  0
  5 17  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  1  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  6  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 21  1  0  0  0  0
 18 38  1  0  0  0  0
 19 22  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5311254

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
428

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWLAAAA8QAAABgAAAFgB8AAAHgAYAAAADCjBngQywPPIAACqAyVyVACSBAAnggAY2KG4ZNgIYLLA1dGUpQhgngDIyQcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-indazolecarboxamide

> <PUBCHEM_IUPAC_NAME>
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H22N4O/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)16-14-5-3-4-6-15(14)21(2)19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)/t11?,12-,13+

> <PUBCHEM_IUPAC_INCHIKEY>
DDHAJFBBJWHSBR-YHWZYXNKSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
298.179361

> <PUBCHEM_MOLECULAR_FORMULA>
C17H22N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
298.38278

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2CCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C

> <PUBCHEM_CACTVS_TPSA>
50.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.179361

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  16  8
16  17  8
16  18  8
17  19  8
18  21  8
19  22  8
21  22  8
4  15  8
4  5  8
5  17  8
6  23  5
7  24  6

$$$$