ChemSpider 2D Image | 1,1,1-Trifluoro-2-(6-methoxy-3-pyridinyl)-3-{[trans-4-(7H-pyrrolo[3,2-e][1,2,3]triazolo[1,5-c]pyrimidin-1-yl)cyclohexyl]amino}-2-propanol | C22H24F3N7O2

1,1,1-Trifluoro-2-(6-methoxy-3-pyridinyl)-3-{[trans-4-(7H-pyrrolo[3,2-e][1,2,3]triazolo[1,5-c]pyrimidin-1-yl)cyclohexyl]amino}-2-propanol

  • Molecular FormulaC22H24F3N7O2
  • Average mass475.467 Da
  • Monoisotopic mass475.194366 Da
  • ChemSpider ID76785719

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1,1,1-Trifluor-2-(6-methoxy-3-pyridinyl)-3-{[trans-4-(7H-pyrrolo[3,2-e][1,2,3]triazolo[1,5-c]pyrimidin-1-yl)cyclohexyl]amino}-2-propanol [German] [ACD/IUPAC Name]
1,1,1-Trifluoro-2-(6-methoxy-3-pyridinyl)-3-{[trans-4-(7H-pyrrolo[3,2-e][1,2,3]triazolo[1,5-c]pyrimidin-1-yl)cyclohexyl]amino}-2-propanol [ACD/IUPAC Name]
1,1,1-Trifluoro-2-(6-méthoxy-3-pyridinyl)-3-{[trans-4-(7H-pyrrolo[3,2-e][1,2,3]triazolo[1,5-c]pyrimidin-1-yl)cyclohexyl]amino}-2-propanol [French] [ACD/IUPAC Name]
3-Pyridinemethanol, 6-methoxy-α-[[[trans-4-(7H-pyrrolo[3,2-e][1,2,3]triazolo[1,5-c]pyrimidin-1-yl)cyclohexyl]amino]methyl]-α-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 113 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 305.2±7.0 cm3

Click to predict properties on the Chemicalize site


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