
 SCHEMBL2192915

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.6453    0.5115   -0.2977 C   0  0  0  0  0
    1.9295    0.3512   -0.9068 O   0  0  0  0  0
    2.8503    1.3283   -0.6320 C   0  0  0  0  0
    2.4595    2.6619   -0.4351 C   0  0  0  0  0
    3.3969    3.6441   -0.1175 C   0  0  0  0  0
    4.7385    3.3083   -0.0016 C   0  0  0  0  0
    5.1482    1.9910   -0.2131 C   0  0  0  0  0
    4.2157    0.9874   -0.5456 C   0  0  0  0  0
    4.7039   -0.3362   -0.7697 N   0  0  0  0  0
    5.9083   -0.8581   -0.2999 C   0  0  0  0  0
    6.1311   -2.1038   -0.6771 N   0  0  0  0  0
    5.0469   -2.4079   -1.4172 C   0  0  0  0  0
    4.1564   -1.3713   -1.5042 C   0  0  0  0  0
    3.0135   -1.4843   -2.2694 N   0  0  0  0  0
    2.7178   -2.6969   -2.9623 C   0  0  0  0  0
    1.6907   -2.7680   -3.6076 O   0  0  0  0  0
    3.7112   -3.7953   -2.8249 C   0  0  0  0  0
    4.8170   -3.6333   -2.0790 C   0  0  0  0  0
    0.1387   -0.4576   -0.3382 H   0  0  0  0  0
    0.0392    1.2270   -0.8616 H   0  0  0  0  0
    0.7284    0.8027    0.7550 H   0  0  0  0  0
    1.4218    2.9702   -0.5285 H   0  0  0  0  0
    3.0777    4.6729    0.0358 H   0  0  0  0  0
    5.4714    4.0762    0.2386 H   0  0  0  0  0
    6.2166    1.7965   -0.1515 H   0  0  0  0  0
    6.5725   -0.2963    0.3444 H   0  0  0  0  0
    2.3490   -0.7180   -2.3009 H   0  0  0  0  0
    3.4901   -4.7147   -3.3510 H   0  0  0  0  0
    5.5457   -4.4307   -1.9739 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  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  2  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 26  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 27  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 28  1  0  0  0
 18 29  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2192915

>  <PubChem CID>
58345679

>  <Formula>
C13H11N3O2

>  <Molecular Weight>
241.250000

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

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=CC=C1N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
COC1=CC=CC=C1N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C13H11N3O2/c1-18-11-5-3-2-4-10(11)16-8-14-9-6-7-12(17)15-13(9)16/h2-8H,1H3,(H,15,17)

>  <InChI Key>
IKOBKTUNPXBJDS-UHFFFAOYSA-N

