
 SCHEMBL2194710

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.1997   -0.4886   -1.0731 C   0  0  0  0  0
    2.4806   -0.2199   -0.3315 C   0  0  0  0  0
    2.9877    1.0554   -0.0104 C   0  0  0  0  0
    4.2882    1.1844    0.5168 C   0  0  0  0  0
    5.0566    0.0530    0.7949 C   0  0  0  0  0
    4.5402   -1.2118    0.5422 C   0  0  0  0  0
    3.2724   -1.3362   -0.0159 C   0  0  0  0  0
    2.8115   -2.5673   -0.2805 F   0  0  0  0  0
    2.2380    2.2428   -0.1942 N   0  0  0  0  0
    2.7236    3.4639   -0.6422 C   0  0  0  0  0
    1.7884    4.3928   -0.7259 N   0  0  0  0  0
    0.6773    3.7712   -0.2739 C   0  0  0  0  0
    0.9116    2.4745    0.0995 C   0  0  0  0  0
   -0.0643    1.7157    0.7173 N   0  0  0  0  0
   -1.3732    2.2646    0.9215 C   0  0  0  0  0
   -2.2123    1.5727    1.4626 O   0  0  0  0  0
   -1.5902    3.6607    0.4557 C   0  0  0  0  0
   -0.5917    4.3640   -0.1060 C   0  0  0  0  0
    0.8623    0.3798   -1.6452 H   0  0  0  0  0
    0.4133   -0.8019   -0.3812 H   0  0  0  0  0
    1.3462   -1.2881   -1.8087 H   0  0  0  0  0
    4.7120    2.1562    0.7681 H   0  0  0  0  0
    6.0524    0.1578    1.2212 H   0  0  0  0  0
    5.1214   -2.1036    0.7586 H   0  0  0  0  0
    3.7582    3.6006   -0.9344 H   0  0  0  0  0
    0.1200    0.7890    1.0773 H   0  0  0  0  0
   -2.5796    4.0717    0.6083 H   0  0  0  0  0
   -0.7410    5.3881   -0.4332 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  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 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  6  7  2  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 27  1  0  0  0
 18 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194710

>  <PubChem CID>
58345676

>  <Formula>
C13H10FN3O

>  <Molecular Weight>
243.241000

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

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C=CC=C1F)N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
CC1=C(C=CC=C1F)N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C13H10FN3O/c1-8-9(14)3-2-4-11(8)17-7-15-10-5-6-12(18)16-13(10)17/h2-7H,1H3,(H,16,18)

>  <InChI Key>
IJYVOSTZNYRPDD-UHFFFAOYSA-N

