
 SCHEMBL2193535

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.0038   -0.4301   -1.0340 C   0  0  0  0  0
    2.4314   -0.2841   -0.5746 C   0  0  0  0  0
    3.0200    0.9456   -0.1960 C   0  0  0  0  0
    4.3967    1.0448    0.1810 C   0  0  0  0  0
    5.0527    2.2310    0.6075 C   0  0  0  0  0
    6.4040    2.2438    0.9623 C   0  0  0  0  0
    7.1417    1.0710    0.9154 C   0  0  0  0  0
    6.5254   -0.1146    0.5237 C   0  0  0  0  0
    5.1674   -0.1432    0.1657 C   0  0  0  0  0
    4.5741   -1.3598   -0.1939 C   0  0  0  0  0
    3.2281   -1.4321   -0.5496 C   0  0  0  0  0
    2.2129    2.1071   -0.1814 N   0  0  0  0  0
    1.1203    2.3205    0.6245 C   0  0  0  0  0
    0.6502    3.5561    0.2788 C   0  0  0  0  0
   -0.4751    4.1117    0.9236 C   0  0  0  0  0
   -1.0924    3.4239    1.9004 C   0  0  0  0  0
   -0.6051    2.0809    2.3227 C   0  0  0  0  0
   -1.1053    1.4027    3.1975 O   0  0  0  0  0
    0.5410    1.5706    1.6298 N   0  0  0  0  0
    1.3857    4.1400   -0.6936 N   0  0  0  0  0
    2.3295    3.2598   -0.9683 C   0  0  0  0  0
    3.2738    3.4128   -1.9088 N   0  0  0  0  0
    0.8824   -1.3217   -1.6595 H   0  0  0  0  0
    0.6934    0.4205   -1.6486 H   0  0  0  0  0
    0.3350   -0.5277   -0.1744 H   0  0  0  0  0
    4.5222    3.1789    0.6715 H   0  0  0  0  0
    6.8763    3.1722    1.2751 H   0  0  0  0  0
    8.1938    1.0745    1.1894 H   0  0  0  0  0
    7.1206   -1.0263    0.5055 H   0  0  0  0  0
    5.1627   -2.2767   -0.2018 H   0  0  0  0  0
    2.8156   -2.4004   -0.8311 H   0  0  0  0  0
   -0.8250    5.0928    0.6180 H   0  0  0  0  0
   -1.9583    3.8073    2.4252 H   0  0  0  0  0
    0.9158    0.6721    1.9073 H   0  0  0  0  0
    3.2155    4.2098   -2.5365 H   0  0  0  0  0
    3.8893    2.6663   -2.2182 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2 11  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 31  1  0  0  0
 12 21  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 19  1  0  0  0
 14 15  1  0  0  0
 14 20  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 34  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 22 35  1  0  0  0
 22 36  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193535

>  <PubChem CID>
58345764

>  <Formula>
C17H14N4O

>  <Molecular Weight>
290.326000

>  <IUPAC Name>
2-amino-3-(2-methylnaphthalen-1-yl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C2=CC=CC=C2C=C1)N3C4=C(C=CC(=O)N4)N=C3N

>  <Isomeric SMILES>
CC1=C(C2=CC=CC=C2C=C1)N3C4=C(C=CC(=O)N4)N=C3N

>  <InChI Std. ID>
InChI=1S/C17H14N4O/c1-10-6-7-11-4-2-3-5-12(11)15(10)21-16-13(19-17(21)18)8-9-14(22)20-16/h2-9H,1H3,(H2,18,19)(H,20,22)

>  <InChI Key>
GGKGQZABRSPIRD-UHFFFAOYSA-N

