ChemSpider 2D Image | N-{(7R)-4-[(3S,5R)-3-Amino-5-methyl-1-piperidinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl}-6-[2,6-difluoro-4-(2-hydroxy-2-propanyl)phenyl]-5-fluoro-2-pyridinecarboxamide | C29H32F3N5O3

N-{(7R)-4-[(3S,5R)-3-Amino-5-methyl-1-piperidinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl}-6-[2,6-difluoro-4-(2-hydroxy-2-propanyl)phenyl]-5-fluoro-2-pyridinecarboxamide

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID129083761

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[(7R)-4-[(3S,5R)-3-amino-5-methyl-1-piperidinyl]-6,7-dihydro-7-hydroxy-5H-cyclopenta[b]pyridin-3-yl]-6-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-5-fluoro- [ACD/Index Name]
N-{(7R)-4-[(3S,5R)-3-Amino-5-methyl-1-piperidinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl}-6-[2,6-difluor-4-(2-hydroxy-2-propanyl)phenyl]-5-fluor-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{(7R)-4-[(3S,5R)-3-Amino-5-methyl-1-piperidinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl}-6-[2,6-difluoro-4-(2-hydroxy-2-propanyl)phenyl]-5-fluoro-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{(7R)-4-[(3S,5R)-3-Amino-5-méthyl-1-pipéridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl}-6-[2,6-difluoro-4-(2-hydroxy-2-propanyl)phényl]-5-fluoro-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 648.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.1±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.16
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 406.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement