
 CHEMBL3769816

 51 55  0  0  0  0  0  0  0  0999 V2000
    0.7496    0.1862    0.0512 C   0  0  0  0  0
    2.2107   -0.0825    0.0235 C   0  0  0  0  0
    2.9344   -1.2713   -0.0165 C   0  0  0  0  0
    4.2918   -0.9973   -0.0479 N   0  0  0  0  0
    4.3982    0.3104   -0.0166 C   0  0  0  0  0
    3.1584    0.9252    0.0514 N   0  0  0  0  0
    2.9911    2.3100    0.1334 C   0  0  0  0  0
    4.0619    3.1407    0.1373 C   0  0  0  0  0
    5.3817    2.4895    0.0473 C   0  0  0  0  0
    5.5367    1.1540   -0.0248 C   0  0  0  0  0
    3.9760    4.5419    0.2168 N   0  0  0  0  0
    2.8930    5.0669    0.9191 C   0  0  0  0  0
    2.7231    6.3864    1.0756 C   0  0  0  0  0
    3.6703    7.3209    0.5269 C   0  0  0  0  0
    4.7293    6.8601   -0.1534 C   0  0  0  0  0
    4.9330    5.3990   -0.3599 C   0  0  0  0  0
    5.8988    5.0683   -1.0459 O   0  0  0  0  0
    3.3550    8.6323    0.7945 O   0  0  0  0  0
    4.2652    9.6270    0.3182 C   0  0  0  0  0
    3.7670   10.9976    0.7095 C   0  0  0  0  0
    3.4454   11.9465   -0.2745 C   0  0  0  0  0
    3.0226   13.2260    0.0892 C   0  0  0  0  0
    2.9202   13.5578    1.4344 C   0  0  0  0  0
    3.2291   12.6332    2.4246 C   0  0  0  0  0
    3.6518   11.3526    2.0636 C   0  0  0  0  0
    2.5201   14.7882    1.7811 F   0  0  0  0  0
    2.4012   -2.6367   -0.0187 C   0  0  0  0  0
    1.2041   -2.9035    0.0217 O   0  0  0  0  0
    3.4234   -3.7299   -0.0300 C   0  0  0  0  0
    3.3754   -4.8036    1.0350 C   0  0  0  0  0
    3.0333   -5.1482   -0.3851 C   0  0  0  0  0
    0.1547   -0.7172   -0.0963 H   0  0  0  0  0
    0.4721    0.8856   -0.7447 H   0  0  0  0  0
    0.4610    0.6230    1.0128 H   0  0  0  0  0
    1.9669    2.6535    0.1558 H   0  0  0  0  0
    6.2779    3.1015    0.0736 H   0  0  0  0  0
    6.5203    0.7014   -0.0796 H   0  0  0  0  0
    2.1872    4.3932    1.3919 H   0  0  0  0  0
    1.8822    6.7770    1.6403 H   0  0  0  0  0
    5.4883    7.4867   -0.5994 H   0  0  0  0  0
    4.3465    9.5603   -0.7737 H   0  0  0  0  0
    5.2590    9.4806    0.7605 H   0  0  0  0  0
    3.5252   11.6975   -1.3306 H   0  0  0  0  0
    2.7759   13.9649   -0.6665 H   0  0  0  0  0
    3.1411   12.9157    3.4687 H   0  0  0  0  0
    3.8938   10.6309    2.8413 H   0  0  0  0  0
    4.4150   -3.4264   -0.3557 H   0  0  0  0  0
    2.5657   -4.7790    1.7564 H   0  0  0  0  0
    4.3174   -5.1590    1.4356 H   0  0  0  0  0
    3.7423   -5.7415   -0.9505 H   0  0  0  0  0
    1.9949   -5.3565   -0.6199 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 46  1  0  0  0
 27 29  1  0  0  0
 27 28  2  0  0  0
 29 31  1  0  0  0
 29 30  1  0  0  0
 29 47  1  0  0  0
 30 31  1  0  0  0
 30 48  1  0  0  0
 30 49  1  0  0  0
 31 50  1  0  0  0
 31 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3769816

>  <PubChem CID>
89702382

>  <Formula>
C24H20FN3O3

>  <Molecular Weight>
417.440000

>  <IUPAC Name>
1-[2-(cyclopropanecarbonyl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F)C(=O)C5CC5

>  <Isomeric SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F)C(=O)C5CC5

>  <InChI Std. ID>
InChI=1S/C24H20FN3O3/c1-15-23(24(30)17-4-5-17)26-21-9-8-19(13-28(15)21)27-11-10-20(12-22(27)29)31-14-16-2-6-18(25)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3

>  <InChI Key>
BXXXYZIOUUHSOK-UHFFFAOYSA-N

