
 SCHEMBL2191453

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.4590   -0.2931   -0.9804 C   0  0  0  0  0
    2.6916   -0.0772   -0.1460 C   0  0  0  0  0
    3.1630    1.1763    0.2930 C   0  0  0  0  0
    4.4041    1.2773    0.9495 C   0  0  0  0  0
    5.1577    0.1339    1.2168 C   0  0  0  0  0
    4.6802   -1.1134    0.8310 C   0  0  0  0  0
    3.4653   -1.2076    0.1596 C   0  0  0  0  0
    3.0386   -2.4209   -0.2192 F   0  0  0  0  0
    2.4081    2.3647    0.1217 N   0  0  0  0  0
    1.0841    2.5509    0.4588 C   0  0  0  0  0
    0.8094    3.8555    0.1551 C   0  0  0  0  0
   -0.4673    4.4085    0.3905 C   0  0  0  0  0
   -1.4315    3.6539    0.9448 C   0  0  0  0  0
   -1.1709    2.2408    1.3297 C   0  0  0  0  0
   -1.9800    1.5006    1.8543 O   0  0  0  0  0
    0.1432    1.7349    1.0601 N   0  0  0  0  0
    1.8871    4.5196   -0.3136 N   0  0  0  0  0
    2.8526    3.6220   -0.3174 C   0  0  0  0  0
    4.1037    3.8576   -0.7554 N   0  0  0  0  0
    1.1693    0.6082   -1.5279 H   0  0  0  0  0
    0.6255   -0.6233   -0.3543 H   0  0  0  0  0
    1.6419   -1.0599   -1.7419 H   0  0  0  0  0
    4.7836    2.2365    1.3028 H   0  0  0  0  0
    6.1088    0.2149    1.7390 H   0  0  0  0  0
    5.2501   -2.0147    1.0381 H   0  0  0  0  0
   -0.6489    5.4442    0.1208 H   0  0  0  0  0
   -2.4248    4.0331    1.1477 H   0  0  0  0  0
    0.3598    0.7925    1.3580 H   0  0  0  0  0
    4.2479    4.7435   -1.2361 H   0  0  0  0  0
    4.6781    3.1097   -1.1341 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  9 18  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 16  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  2  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 28  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 19 29  1  0  0  0
 19 30  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2191453

>  <PubChem CID>
58345720

>  <Formula>
C13H11FN4O

>  <Molecular Weight>
258.256000

>  <IUPAC Name>
2-amino-3-(3-fluoro-2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=CC=C1F)N2C3=C(C=CC(=O)N3)N=C2N

>  <Isomeric SMILES>
CC1=C(C=CC=C1F)N2C3=C(C=CC(=O)N3)N=C2N

>  <InChI Std. ID>
InChI=1S/C13H11FN4O/c1-7-8(14)3-2-4-10(7)18-12-9(16-13(18)15)5-6-11(19)17-12/h2-6H,1H3,(H2,15,16)(H,17,19)

>  <InChI Key>
KJJOQJPMYVOVQD-UHFFFAOYSA-N

