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

 72 77  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-(2-chloro-3-pyridinyl)-5-(2-pyridinylcarbamoyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester

>  <PubChem CID>
15005378

>  <Formula>
C33H28ClN7O3

>  <Molecular Weight>
606.083000

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

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

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

>  <InChI Std. ID>
InChI=1S/C33H28ClN7O3/c1-4-44-33(43)29-28(23-8-7-16-37-31(23)34)27(32(42)40-26-9-5-6-15-36-26)19(2)38-30(29)21-10-12-22(13-11-21)41-20(3)39-24-18-35-17-14-25(24)41/h5-18,28,38H,4H2,1-3H3,(H,36,40,42)

>  <InChI Key>
AKVDDBVLYGVUJX-UHFFFAOYSA-N

