ChemSpider 2D Image | 4,4,4-Trifluoro-1-[4-{2-[(4-{[2-(4-pyridinyl)-1-pyrrolidinyl]carbonyl}phenyl)amino][1,2,4]triazolo[1,5-a]pyridin-8-yl}-3,6-dihydro-1(2H)-pyridinyl]-1-butanone | C31H30F3N7O2

4,4,4-Trifluoro-1-[4-{2-[(4-{[2-(4-pyridinyl)-1-pyrrolidinyl]carbonyl}phenyl)amino][1,2,4]triazolo[1,5-a]pyridin-8-yl}-3,6-dihydro-1(2H)-pyridinyl]-1-butanone

  • Molecular FormulaC31H30F3N7O2
  • Average mass589.611 Da
  • Monoisotopic mass589.241333 Da
  • ChemSpider ID128994411

More details:

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

1-Butanone, 1-[3,6-dihydro-4-[2-[[4-[[2-(4-pyridinyl)-1-pyrrolidinyl]carbonyl]phenyl]amino][1,2,4]triazolo[1,5-a]pyridin-8-yl]-1(2H)-pyridinyl]-4,4,4-trifluoro- [ACD/Index Name]
4,4,4-Trifluor-1-[4-{2-[(4-{[2-(4-pyridinyl)-1-pyrrolidinyl]carbonyl}phenyl)amino][1,2,4]triazolo[1,5-a]pyridin-8-yl}-3,6-dihydro-1(2H)-pyridinyl]-1-butanon [German] [ACD/IUPAC Name]
4,4,4-Trifluoro-1-[4-{2-[(4-{[2-(4-pyridinyl)-1-pyrrolidinyl]carbonyl}phenyl)amino][1,2,4]triazolo[1,5-a]pyridin-8-yl}-3,6-dihydro-1(2H)-pyridinyl]-1-butanone [ACD/IUPAC Name]
4,4,4-Trifluoro-1-[4-{2-[(4-{[2-(4-pyridinyl)-1-pyrrolidinyl]carbonyl}phényl)amino][1,2,4]triazolo[1,5-a]pyridin-8-yl}-3,6-dihydro-1(2H)-pyridinyl]-1-butanone [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 156.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 57.38
ACD/KOC (pH 5.5): 495.77
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 132.46
ACD/KOC (pH 7.4): 1144.52
Polar Surface Area: 96 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 419.4±7.0 cm3

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