ChemSpider 2D Image | (6S)-N-[(3S,5S,6R)-6-Methyl-2-oxo-5-phenyl-1-{[1-(trifluoromethyl)cyclopropyl]methyl}-3-piperidinyl]-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxamide | C32H30F3N5O3

(6S)-N-[(3S,5S,6R)-6-Methyl-2-oxo-5-phenyl-1-{[1-(trifluoromethyl)cyclopropyl]methyl}-3-piperidinyl]-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxamide

  • Molecular FormulaC32H30F3N5O3
  • Average mass589.607 Da
  • Monoisotopic mass589.230103 Da
  • ChemSpider ID76781547

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6S)-N-[(3S,5S,6R)-6-Methyl-2-oxo-5-phenyl-1-{[1-(trifluoromethyl)cyclopropyl]methyl}-3-piperidinyl]-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxamide [ACD/IUPAC Name]
Spiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxamide, 1',2',5,7-tetrahydro-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3-piperidinyl]-2'-o xo-, (6S)- [ACD/Index 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: 755.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 410.7±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 149.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.12
ACD/KOC (pH 5.5): 1440.26
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.72
ACD/KOC (pH 7.4): 1452.98
Polar Surface Area: 104 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 407.5±5.0 cm3

Click to predict properties on the Chemicalize site


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