ChemSpider 2D Image | 8-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-6-({1-[4-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl}oxy)-9H-purine | C22H23F3N8O

8-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-6-({1-[4-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl}oxy)-9H-purine

  • Molecular FormulaC22H23F3N8O
  • Average mass472.466 Da
  • Monoisotopic mass472.194702 Da
  • ChemSpider ID128980206

More details:

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

8-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-6-({1-[4-(trifluormethyl)-2-pyridinyl]-3-pyrrolidinyl}oxy)-9H-purin [German] [ACD/IUPAC Name]
8-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-6-({1-[4-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl}oxy)-9H-purine [ACD/IUPAC Name]
8-(1-Éthyl-5-méthyl-1H-pyrazol-4-yl)-9-méthyl-6-({1-[4-(trifluorométhyl)-2-pyridinyl]-3-pyrrolidinyl}oxy)-9H-purine [French] [ACD/IUPAC Name]
9H-Purine, 8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-6-[[1-[4-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl]oxy]- [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: 666.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.8±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 130.88
ACD/KOC (pH 5.5): 1090.45
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 152.66
ACD/KOC (pH 7.4): 1271.92
Polar Surface Area: 87 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 317.7±7.0 cm3

Click to predict properties on the Chemicalize site


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