ChemSpider 2D Image | 4,4,4-Trifluoro-1-[4-{2-[(4-{[(3aS,6aR)-1-methylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]carbonyl}phenyl)amino][1,2,4]triazolo[1,5-a]pyridin-8-yl}-3,6-dihydro-1(2H)-pyridinyl]-1-butanone | C29H32F3N7O2

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

  • Molecular FormulaC29H32F3N7O2
  • Average mass567.605 Da
  • Monoisotopic mass567.256958 Da
  • ChemSpider ID129033738

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Butanone, 4,4,4-trifluoro-1-[4-[2-[[4-[[(3aS,6aR)-hexahydro-1-methylpyrrolo[3,4-b]pyrrol-5(1H)-yl]carbonyl]phenyl]amino][1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-1(2H)-pyridinyl]- [ACD/Index Name]
4,4,4-Trifluor-1-[4-{2-[(4-{[(3aS,6aR)-1-methylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]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-{[(3aS,6aR)-1-methylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]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-{[(3aS,6aR)-1-méthylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]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: 1.675
Molar Refractivity: 147.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 14.11
Polar Surface Area: 86 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 392.5±7.0 cm3

Click to predict properties on the Chemicalize site


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