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

 76 82  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-(1,3-benzodioxol-4-yl)-5-(2-pyridinylcarbamoyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester

>  <PubChem CID>
15005374

>  <Formula>
C35H30N6O5

>  <Molecular Weight>
614.662000

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

>  <XlogP>
4.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=C3C(=CC=C2)OCO3)C(=O)NC4=CC=CC=N4)C)C5=CC=C(C=C5)N6C(=NC7=C6C=CN=C7)C

>  <Isomeric SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=C3C(=CC=C2)OCO3)C(=O)NC4=CC=CC=N4)C)C5=CC=C(C=C5)N6C(=NC7=C6C=CN=C7)C

>  <InChI Std. ID>
InChI=1S/C35H30N6O5/c1-4-44-35(43)31-30(24-8-7-9-27-33(24)46-19-45-27)29(34(42)40-28-10-5-6-16-37-28)20(2)38-32(31)22-11-13-23(14-12-22)41-21(3)39-25-18-36-17-15-26(25)41/h5-18,30,38H,4,19H2,1-3H3,(H,37,40,42)

>  <InChI Key>
JIVCEKLPUPCQFJ-UHFFFAOYSA-N

