
 SCHEMBL2194444

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.9418    1.4390    0.0775 C   0  0  0  0  0
   -2.1428    0.8395    0.0313 C   0  0  0  0  0
   -2.2515   -0.6392   -0.0653 C   0  0  0  0  0
   -3.2958   -1.2596   -0.1074 O   0  0  0  0  0
   -1.0197   -1.3711   -0.1049 N   0  0  0  0  0
    0.1906   -0.7032   -0.0792 C   0  0  0  0  0
    0.2356    0.6621    0.0307 C   0  0  0  0  0
    1.4924    1.1385    0.1373 N   0  0  0  0  0
    2.2416    0.0540    0.0890 C   0  0  0  0  0
    1.5092   -1.1205   -0.0618 N   0  0  0  0  0
    2.0532   -2.4342   -0.0977 C   0  0  0  0  0
    1.4844   -3.4947   -0.8141 C   0  0  0  0  0
    2.1057   -4.7381   -0.7334 C   0  0  0  0  0
    3.2200   -4.9898   -0.0105 N   0  0  0  0  0
    3.7662   -3.9530    0.6486 C   0  0  0  0  0
    3.2334   -2.6733    0.6305 C   0  0  0  0  0
    0.1638   -3.3599   -1.9114 Cl  0  0  0  0  0
   -0.8557    2.5184    0.1541 H   0  0  0  0  0
   -3.0734    1.3915    0.0647 H   0  0  0  0  0
   -1.0775   -2.3777   -0.1928 H   0  0  0  0  0
    3.3246    0.0618    0.1228 H   0  0  0  0  0
    1.7263   -5.5977   -1.2825 H   0  0  0  0  0
    4.6653   -4.1834    1.2157 H   0  0  0  0  0
    3.7302   -1.9105    1.2234 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 17  1  0  0  0
 13 14  2  0  0  0
 13 22  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 23  1  0  0  0
 16 24  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194444

>  <PubChem CID>
58345649

>  <Formula>
C11H7ClN4O

>  <Molecular Weight>
246.654000

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

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=O)NC2=C1N=CN2C3=C(C=NC=C3)Cl

>  <Isomeric SMILES>
C1=CC(=O)NC2=C1N=CN2C3=C(C=NC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C11H7ClN4O/c12-7-5-13-4-3-9(7)16-6-14-8-1-2-10(17)15-11(8)16/h1-6H,(H,15,17)

>  <InChI Key>
AJUQHXZKWJXMHZ-UHFFFAOYSA-N

