
 SCHEMBL2193614

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.8648    0.0666    0.0891 C   0  0  0  0  0
    2.3715    0.0473    0.0421 C   0  0  0  0  0
    3.1623   -1.1173    0.1962 C   0  0  0  0  0
    4.5748   -1.0358    0.2378 C   0  0  0  0  0
    5.1767    0.2264    0.1157 C   0  0  0  0  0
    4.4086    1.3719   -0.0722 C   0  0  0  0  0
    3.0205    1.2821   -0.1146 C   0  0  0  0  0
    5.4860   -2.2285    0.3769 C   0  0  0  0  0
    2.5347   -2.3791    0.3030 N   0  0  0  0  0
    2.6951   -3.3144    1.3123 C   0  0  0  0  0
    1.9588   -4.3975    1.1296 N   0  0  0  0  0
    1.3171   -4.1577   -0.0365 C   0  0  0  0  0
    1.6493   -2.9473   -0.5820 C   0  0  0  0  0
    1.1658   -2.5435   -1.8109 N   0  0  0  0  0
    0.2591   -3.3891   -2.5286 C   0  0  0  0  0
   -0.1595   -3.0103   -3.6053 O   0  0  0  0  0
   -0.0951   -4.6838   -1.8838 C   0  0  0  0  0
    0.4264   -5.0319   -0.6945 C   0  0  0  0  0
    0.4489   -0.0643   -0.9134 H   0  0  0  0  0
    0.5020    1.0225    0.4842 H   0  0  0  0  0
    0.4707   -0.7052    0.7570 H   0  0  0  0  0
    6.2610    0.3269    0.1491 H   0  0  0  0  0
    4.8943    2.3401   -0.1751 H   0  0  0  0  0
    2.4437    2.1980   -0.2397 H   0  0  0  0  0
    5.5448   -2.5421    1.4231 H   0  0  0  0  0
    6.5018   -1.9919    0.0406 H   0  0  0  0  0
    5.1428   -3.0618   -0.2442 H   0  0  0  0  0
    3.3334   -3.1314    2.1681 H   0  0  0  0  0
    1.4549   -1.6718   -2.2366 H   0  0  0  0  0
   -0.7811   -5.3202   -2.4280 H   0  0  0  0  0
    0.1772   -5.9788   -0.2257 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  8  1  0  0  0
  5  6  1  0  0  0
  5 22  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>
SCHEMBL2193614

>  <PubChem CID>
58345756

>  <Formula>
C14H13N3O

>  <Molecular Weight>
239.278000

>  <IUPAC Name>
3-(2,6-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(=CC=C1)C)N2C=NC3=C2NC(=O)C=C3

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

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

>  <InChI Key>
DBHXWXCCPGHQOG-UHFFFAOYSA-N

