
 2-[4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-(4-cyanophenyl)-5-(2-pyridinylcarbamoyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester

 74 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
2-[4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-(4-cyanophenyl)-5-(2-pyridinylcarbamoyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester

>  <PubChem CID>
15005373

>  <Formula>
C35H29N7O3

>  <Molecular Weight>
595.663000

>  <IUPAC Name>
ethyl 4-(4-cyanophenyl)-6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C#N)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C(=NC6=C5C=CN=C6)C

>  <Isomeric SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C#N)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C(=NC6=C5C=CN=C6)C

>  <InChI Std. ID>
InChI=1S/C35H29N7O3/c1-4-45-35(44)32-31(24-10-8-23(19-36)9-11-24)30(34(43)41-29-7-5-6-17-38-29)21(2)39-33(32)25-12-14-26(15-13-25)42-22(3)40-27-20-37-18-16-28(27)42/h5-18,20,31,39H,4H2,1-3H3,(H,38,41,43)

>  <InChI Key>
JYAXEWCEBLGRDI-UHFFFAOYSA-N

