
 CHEMBL411896

 54 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL411896

>  <PubChem CID>
44455188

>  <Formula>
C21H22N8O3

>  <Molecular Weight>
434.460000

>  <IUPAC Name>
N-[5-(4H-imidazol-4-yl)-1-methyl-2-oxopyridin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

>  <XlogP>
-1.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C=C(C=C(C1=O)NC(=O)N2CCC(CC2)N3C4=C(NC3=O)N=CC=C4)C5C=NC=N5

>  <Isomeric SMILES>
CN1C=C(C=C(C1=O)NC(=O)N2CCC(CC2)N3C4=C(NC3=O)N=CC=C4)C5C=NC=N5

>  <InChI Std. ID>
InChI=1S/C21H22N8O3/c1-27-11-13(16-10-22-12-24-16)9-15(19(27)30)25-20(31)28-7-4-14(5-8-28)29-17-3-2-6-23-18(17)26-21(29)32/h2-3,6,9-12,14,16H,4-5,7-8H2,1H3,(H,25,31)(H,23,26,32)

>  <InChI Key>
CSAUVQDMXRETMK-UHFFFAOYSA-N

