
 SCHEMBL2194841

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.9438    0.1431   -0.1969 C   0  0  0  0  0
    2.4435    0.0817   -0.1606 C   0  0  0  0  0
    3.2115    1.2309   -0.3816 C   0  0  0  0  0
    4.6196    1.1704   -0.4047 C   0  0  0  0  0
    5.2754   -0.0600   -0.1965 C   0  0  0  0  0
    4.4865   -1.2090   -0.0093 C   0  0  0  0  0
    3.0925   -1.1407    0.0087 C   0  0  0  0  0
    6.7684   -0.2395   -0.1215 C   0  0  0  0  0
    5.3244    2.3734   -0.6671 N   0  0  0  0  0
    6.4512    2.5423   -1.4584 C   0  0  0  0  0
    6.8378    3.8028   -1.5516 N   0  0  0  0  0
    5.9325    4.4716   -0.8063 C   0  0  0  0  0
    4.9983    3.6451   -0.2422 C   0  0  0  0  0
    4.0313    4.1299    0.6198 N   0  0  0  0  0
    3.9694    5.5338    0.9035 C   0  0  0  0  0
    3.1082    5.9331    1.6621 O   0  0  0  0  0
    4.9861    6.3934    0.2404 C   0  0  0  0  0
    5.9188    5.8621   -0.5686 C   0  0  0  0  0
    0.5851    1.1177    0.1500 H   0  0  0  0  0
    0.5065   -0.6162    0.4606 H   0  0  0  0  0
    0.5870   -0.0231   -1.2175 H   0  0  0  0  0
    2.6833    2.1563   -0.6048 H   0  0  0  0  0
    4.9578   -2.1805    0.1397 H   0  0  0  0  0
    2.5184   -2.0545    0.1541 H   0  0  0  0  0
    7.0276   -1.1234    0.4729 H   0  0  0  0  0
    7.2471    0.6093    0.3762 H   0  0  0  0  0
    7.1874   -0.3745   -1.1227 H   0  0  0  0  0
    6.9176    1.7206   -1.9860 H   0  0  0  0  0
    3.3823    3.5199    1.0992 H   0  0  0  0  0
    4.9355    7.4533    0.4545 H   0  0  0  0  0
    6.6691    6.4840   -1.0471 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 22  1  0  0  0
  4  5  2  0  0  0
  4  9  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 25  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 28  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 29  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194841

>  <PubChem CID>
58345635

>  <Formula>
C14H13N3O

>  <Molecular Weight>
239.278000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C14H13N3O/c1-9-3-4-10(2)12(7-9)17-8-15-11-5-6-13(18)16-14(11)17/h3-8H,1-2H3,(H,16,18)

>  <InChI Key>
KBKPLFKDLKTYTR-UHFFFAOYSA-N

