
 SCHEMBL2193094

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.8916   -0.1192    0.1763 C   0  0  0  0  0
    2.3769   -0.0211   -0.0175 C   0  0  0  0  0
    3.0233    1.2178   -0.0105 C   0  0  0  0  0
    4.4084    1.2995   -0.1844 C   0  0  0  0  0
    5.1646    0.1358   -0.3825 C   0  0  0  0  0
    4.5219   -1.1082   -0.3714 C   0  0  0  0  0
    3.1369   -1.1819   -0.1925 C   0  0  0  0  0
    6.5694    0.2247   -0.5632 N   0  0  0  0  0
    7.3945    1.2620   -0.1452 C   0  0  0  0  0
    8.6735    1.0431   -0.3911 N   0  0  0  0  0
    8.6784   -0.1535   -1.0143 C   0  0  0  0  0
    7.4215   -0.6760   -1.1740 C   0  0  0  0  0
    7.2187   -1.8377   -1.8984 N   0  0  0  0  0
    8.3391   -2.5452   -2.4464 C   0  0  0  0  0
    8.1256   -3.5631   -3.0778 O   0  0  0  0  0
    9.6828   -1.9589   -2.2046 C   0  0  0  0  0
    9.8191   -0.8091   -1.5238 C   0  0  0  0  0
    0.4346    0.8696    0.2874 H   0  0  0  0  0
    0.6668   -0.6973    1.0783 H   0  0  0  0  0
    0.4303   -0.6064   -0.6888 H   0  0  0  0  0
    2.4507    2.1336    0.1287 H   0  0  0  0  0
    4.8528    2.2919   -0.1924 H   0  0  0  0  0
    5.0637   -2.0465   -0.4265 H   0  0  0  0  0
    2.6499   -2.1559   -0.1706 H   0  0  0  0  0
    7.0160    2.1332    0.3746 H   0  0  0  0  0
    6.2974   -2.1905   -2.1155 H   0  0  0  0  0
   10.5267   -2.4973   -2.6164 H   0  0  0  0  0
   10.7965   -0.3673   -1.3563 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193094

>  <PubChem CID>
58345645

>  <Formula>
C13H11N3O

>  <Molecular Weight>
225.251000

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

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=C(C=C1)N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
CC1=CC=C(C=C1)N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C13H11N3O/c1-9-2-4-10(5-3-9)16-8-14-11-6-7-12(17)15-13(11)16/h2-8H,1H3,(H,15,17)

>  <InChI Key>
BJINAZWFPHFFAQ-UHFFFAOYSA-N

