9797240
  -OEChem-10101305032D

 43 46  0     0  0  0  0  0  0999 V2000
    5.7172    4.1974    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.9614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    1.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692    0.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340   -1.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    1.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    2.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203    0.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7851   -1.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1294    3.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.4948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.4948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.6601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.9698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.9698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.6601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4674   -0.1813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2403    0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3733   -1.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2005    1.0995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9305    2.7488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7810    0.4763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9140   -2.1923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1527    2.4101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8827    4.0594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 34  1  0  0  0  0
  4 12  2  0  0  0  0
  4 13  1  0  0  0  0
  5 20  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 36  1  0  0  0  0
 17 21  2  0  0  0  0
 17 37  1  0  0  0  0
 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
 19 23  2  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  2  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9797240

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
387

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gQAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAAAB8AAAHQAQAAAADCjBHgw9kJfMEACgAzRnZACCgC0xEqAJ2KA4dJiIaOLA2ZGUIAhokALIyCcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[5-(4-fluorophenyl)-3-(4-piperidyl)imidazol-4-yl]pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
4-[5-(4-fluorophenyl)-3-(4-piperidinyl)-4-imidazolyl]pyridine

> <PUBCHEM_IUPAC_NAME>
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[5-(4-fluorophenyl)-3-piperidin-4-yl-imidazol-4-yl]pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[5-(4-fluorophenyl)-3-(4-piperidyl)imidazol-4-yl]pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19FN4/c20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17/h1-6,9-10,13,17,22H,7-8,11-12H2

> <PUBCHEM_IUPAC_INCHIKEY>
QBACMJFLMUCPNA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
322.159375

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19FN4

> <PUBCHEM_MOLECULAR_WEIGHT>
322.379363

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNCCC1N2C=NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CNCCC1N2C=NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
42.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
322.159375

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
14  16  8
14  17  8
15  18  8
15  19  8
16  20  8
17  21  8
18  22  8
19  23  8
2  11  8
2  12  8
22  24  8
23  24  8
4  12  8
4  13  8
5  20  8
5  21  8

$$$$