ChemSpider 2D Image | N,2-Dimethyl-1-[(3-exo)-8-(3-{[(4-methylphenyl)carbamoyl](phenyl)amino}propyl)-8-azabicyclo[3.2.1]oct-3-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-carboxamide | C33H43N7O2

N,2-Dimethyl-1-[(3-exo)-8-(3-{[(4-methylphenyl)carbamoyl](phenyl)amino}propyl)-8-azabicyclo[3.2.1]oct-3-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-carboxamide

  • Molecular FormulaC33H43N7O2
  • Average mass569.740 Da
  • Monoisotopic mass569.347839 Da
  • ChemSpider ID23322683
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5H-Imidazo[4,5-c]pyridine-5-carboxamide, 1,4,6,7-tetrahydro-N,2-dimethyl-1-[(3-exo)-8-[3-[[[(4-methylphenyl)amino]carbonyl]phenylamino]propyl]-8-azabicyclo[3.2.1]oct-3-yl]- [ACD/Index Name]
N,2-Dimethyl-1-[(3-exo)-8-(3-{[(4-methylphenyl)carbamoyl](phenyl)amino}propyl)-8-azabicyclo[3.2.1]oct-3-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-carboxamid [German] [ACD/IUPAC Name]
N,2-Dimethyl-1-[(3-exo)-8-(3-{[(4-methylphenyl)carbamoyl](phenyl)amino}propyl)-8-azabicyclo[3.2.1]oct-3-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-carboxamide [ACD/IUPAC Name]
N,2-Diméthyl-1-[(3-exo)-8-(3-{[(4-méthylphényl)carbamoyl](phényl)amino}propyl)-8-azabicyclo[3.2.1]oct-3-yl]-1,4,6,7-tétrahydro-5H-imidazo[4,5-c]pyridine-5-carboxamide [French] [ACD/IUPAC Name]
1-(3-((1S,3s,5R)-3-(2-methyl-5-(methylcarbamoyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)propyl)-1-phenyl-3-p-tolylurea

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 825.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 453.1±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 165.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.36
Polar Surface Area: 86 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 441.0±7.0 cm3

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