ChemSpider 2D Image | [(6R,9R)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate | C28H27F2N5O3

[(6R,9R)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate

  • Molecular FormulaC28H27F2N5O3
  • Average mass519.542 Da
  • Monoisotopic mass519.208191 Da
  • ChemSpider ID28517686

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
(6R,9R)-6-(2,3-Difluorphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
[(6R,9R)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
1190362-85-6 [RN]
1190363-03-1 [RN]
1-Piperidinecarboxylic acid, 4-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-, (6R,9R)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl ester [ACD/Index Name]
4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-1-pipéridinecarboxylate de (6R,9R)-6-(2,3-difluorophényl)-6,7,8,9-tétrahydro-5H-cyclohepta[b]pyridin-9-yle [French] [ACD/IUPAC Name]
BMS-846372
CID 46174937

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 529.25
ACD/KOC (pH 5.5): 2852.76
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 705.30
ACD/KOC (pH 7.4): 3801.69
Polar Surface Area: 88 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 363.6±5.0 cm3

Click to predict properties on the Chemicalize site


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