ChemSpider 2D Image | 1-{4-[5-(Trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-propanone | C23H27F3N6O

1-{4-[5-(Trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-propanone

  • Molecular FormulaC23H27F3N6O
  • Average mass460.495 Da
  • Monoisotopic mass460.219849 Da
  • ChemSpider ID22543689

More details:

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

1-{4-[5-(Trifluormethyl)-2-pyridinyl]-1,4-diazepan-1-yl}-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-propanon [German] [ACD/IUPAC Name]
1-{4-[5-(Trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-propanone [ACD/IUPAC Name]
1-{4-[5-(Trifluorométhyl)-2-pyridinyl]-1,4-diazépan-1-yl}-3-(2,5,7-triméthylpyrazolo[1,5-a]pyrimidin-6-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[hexahydro-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,4-diazepin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 119.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 61.26
ACD/KOC (pH 5.5): 421.61
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 285.48
ACD/KOC (pH 7.4): 1964.88
Polar Surface Area: 67 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 343.7±7.0 cm3

Click to predict properties on the Chemicalize site


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