
 SCHEMBL2192444

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.8717   -0.1717    0.0337 C   0  0  0  0  0
    2.3687   -0.0866   -0.1006 C   0  0  0  0  0
    3.0487    1.1422   -0.0040 C   0  0  0  0  0
    4.4486    1.1710   -0.1410 C   0  0  0  0  0
    5.1762   -0.0085   -0.3499 C   0  0  0  0  0
    4.4931   -1.2241   -0.4569 C   0  0  0  0  0
    3.1031   -1.2591   -0.3249 C   0  0  0  0  0
    6.5888    0.0251   -0.4801 N   0  0  0  0  0
    7.3830   -0.9060   -1.1382 C   0  0  0  0  0
    8.6631   -0.5812   -1.1549 N   0  0  0  0  0
    8.7082    0.5752   -0.4612 C   0  0  0  0  0
    7.4785    0.9672    0.0002 C   0  0  0  0  0
    7.3458    2.0628    0.8352 N   0  0  0  0  0
    8.4979    2.8424    1.1836 C   0  0  0  0  0
    8.3467    3.7986    1.9186 O   0  0  0  0  0
    9.7993    2.3997    0.6187 C   0  0  0  0  0
    9.8760    1.3067   -0.1588 C   0  0  0  0  0
    2.2996    2.4341    0.1938 C   0  0  0  0  0
    0.3842    0.4883   -0.6908 H   0  0  0  0  0
    0.5670    0.1081    1.0471 H   0  0  0  0  0
    0.5082   -1.1874   -0.1552 H   0  0  0  0  0
    4.9328    2.1429   -0.1501 H   0  0  0  0  0
    5.0056   -2.1710   -0.6086 H   0  0  0  0  0
    2.5917   -2.2182   -0.3980 H   0  0  0  0  0
    6.9707   -1.7796   -1.6276 H   0  0  0  0  0
    6.4684    2.3138    1.2686 H   0  0  0  0  0
   10.6669    2.9920    0.8803 H   0  0  0  0  0
   10.8255    0.9693   -0.5623 H   0  0  0  0  0
    2.9832    3.2684    0.3841 H   0  0  0  0  0
    1.6307    2.3633    1.0572 H   0  0  0  0  0
    1.7176    2.6728   -0.7018 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 18  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
 18 29  1  0  0  0
 18 30  1  0  0  0
 18 31  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2192444

>  <PubChem CID>
58345665

>  <Formula>
C14H13N3O

>  <Molecular Weight>
239.278000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

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

>  <InChI Key>
LPRJBGHEHJVQRA-UHFFFAOYSA-N

