ChemSpider 2D Image | 4-Fluoro-1-{6-[6-fluoro-5-(1-methyl-1H-pyrazol-4-yl)octahydro-1H-indazol-3-yl]-4-pyrimidinyl}-4-piperidinecarbonitrile | C21H26F2N8

4-Fluoro-1-{6-[6-fluoro-5-(1-methyl-1H-pyrazol-4-yl)octahydro-1H-indazol-3-yl]-4-pyrimidinyl}-4-piperidinecarbonitrile

  • Molecular FormulaC21H26F2N8
  • Average mass428.482 Da
  • Monoisotopic mass428.224854 Da
  • ChemSpider ID129149255

More details:

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

4-Fluor-1-{6-[6-fluor-5-(1-methyl-1H-pyrazol-4-yl)octahydro-1H-indazol-3-yl]-4-pyrimidinyl}-4-piperidincarbonitril [German] [ACD/IUPAC Name]
4-Fluoro-1-{6-[6-fluoro-5-(1-methyl-1H-pyrazol-4-yl)octahydro-1H-indazol-3-yl]-4-pyrimidinyl}-4-piperidinecarbonitrile [ACD/IUPAC Name]
4-Fluoro-1-{6-[6-fluoro-5-(1-méthyl-1H-pyrazol-4-yl)octahydro-1H-indazol-3-yl]-4-pyrimidinyl}-4-pipéridinecarbonitrile [French] [ACD/IUPAC Name]
4-Piperidinecarbonitrile, 4-fluoro-1-[6-[6-fluorooctahydro-5-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-4-pyrimidinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 648.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.7±31.5 °C
Index of Refraction: 1.730
Molar Refractivity: 111.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.62
Polar Surface Area: 95 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 280.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement