Ethyl (+)-(R)-4-(O-Chlorophenyl)-1,4-Dihydro-6-Methyl-2-(P-(2-Methyl-1H-Imidazo[4,5-C]Pyridin-1-Yl)Phenyl)-5-(2-Pyridylcarbamoyl)Nicotinate

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Properties Simple | Detailed

Formula C34H28ClN6O3
IUPAC Name ethyl (4r)-4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
Molecular Mass 604.078 g·mol−1
Heat of Formation 31.0 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 690.9 Å 3
Surface Area 541.94 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-(2-chlorophenyl)-6-methyl-2-[4-(2-methyl-1-imidazo[4,5-c]pyridinyl)phenyl]-5-[oxo-(2-pyridylamino)methyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester
  • (4r)-4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-5-(2-pyridylcarbamoyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester
  • ethyl ( )-(r)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-2-(p-(2-methyl-1h-imidazo(4,5-c)pyridin-1-yl)phenyl)-5-(2-pyridylcarbamoyl)nicotinate.
  • ethyl (4r)-4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-5-(2-pyridylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
  • modipafant
  • uk-80067
CAS Number(s)
  • 122957-06-6
InChIKey ODRYSCQFUGFOSU-SSEXGKCCSA-N
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Elements H C N O Cl