
 SCHEMBL2195362

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.0396    1.3755   -0.6567 C   0  0  0  0  0
    1.1521    0.6615   -0.4843 C   0  0  0  0  0
    1.1346   -0.6191    0.0969 C   0  0  0  0  0
   -0.0880   -1.1631    0.4966 C   0  0  0  0  0
   -1.2673   -0.4435    0.3239 C   0  0  0  0  0
   -1.2522    0.8221   -0.2496 C   0  0  0  0  0
   -2.4331   -0.9665    0.7264 F   0  0  0  0  0
   -0.1509   -2.3508    1.1160 F   0  0  0  0  0
    2.3496   -1.3348    0.2669 N   0  0  0  0  0
    3.5855   -0.7812    0.5537 C   0  0  0  0  0
    4.4699   -1.8234    0.5464 C   0  0  0  0  0
    5.8414   -1.6287    0.8144 C   0  0  0  0  0
    6.2992   -0.4000    1.1063 C   0  0  0  0  0
    5.3754    0.7627    1.1647 C   0  0  0  0  0
    5.7006    1.9000    1.4424 O   0  0  0  0  0
    3.9938    0.5023    0.8769 N   0  0  0  0  0
    3.8768   -3.0066    0.2998 N   0  0  0  0  0
    2.6009   -2.7149    0.1413 C   0  0  0  0  0
    1.6765   -3.6286   -0.2096 N   0  0  0  0  0
   -0.0267    2.3579   -1.1265 H   0  0  0  0  0
    2.0654    1.1040   -0.8767 H   0  0  0  0  0
   -2.1845    1.3647   -0.3795 H   0  0  0  0  0
    6.5090   -2.4846    0.7807 H   0  0  0  0  0
    7.3416   -0.2011    1.3205 H   0  0  0  0  0
    3.3479    1.2746    0.9676 H   0  0  0  0  0
    1.9857   -4.5971   -0.1515 H   0  0  0  0  0
    0.7169   -3.5337    0.1173 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 22  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 23  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 25  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 19 26  1  0  0  0
 19 27  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2195362

>  <PubChem CID>
58345760

>  <Formula>
C12H8F2N4O

>  <Molecular Weight>
262.220000

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

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=C(C(=C1)F)F)N2C3=C(C=CC(=O)N3)N=C2N

>  <Isomeric SMILES>
C1=CC(=C(C(=C1)F)F)N2C3=C(C=CC(=O)N3)N=C2N

>  <InChI Std. ID>
InChI=1S/C12H8F2N4O/c13-6-2-1-3-8(10(6)14)18-11-7(16-12(18)15)4-5-9(19)17-11/h1-5H,(H2,15,16)(H,17,19)

>  <InChI Key>
IWMQEEIMDDBOPL-UHFFFAOYSA-N

