ChemSpider 2D Image | (1,6-Diisopropyl-1H-pyrazolo[3,4-b]pyridin-4-yl){4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}methanone | C23H27F3N6O

(1,6-Diisopropyl-1H-pyrazolo[3,4-b]pyridin-4-yl){4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}methanone

  • Molecular FormulaC23H27F3N6O
  • Average mass460.495 Da
  • Monoisotopic mass460.219849 Da
  • ChemSpider ID30584522

More details:

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

(1,6-Diisopropyl-1H-pyrazolo[3,4-b]pyridin-4-yl){4-[5-(trifluormethyl)-2-pyridinyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
(1,6-Diisopropyl-1H-pyrazolo[3,4-b]pyridin-4-yl){4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
(1,6-Diisopropyl-1H-pyrazolo[3,4-b]pyridin-4-yl){4-[5-(trifluorométhyl)-2-pyridinyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [1,6-bis(1-methylethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl][4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]- [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: 592.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 311.9±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 119.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 41.12
ACD/KOC (pH 5.5): 335.99
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 157.84
ACD/KOC (pH 7.4): 1289.74
Polar Surface Area: 67 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 342.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement