ChemSpider 2D Image | 1-{3-[(4-Amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea | C25H24F3N7O

1-{3-[(4-Amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC25H24F3N7O
  • Average mass495.500 Da
  • Monoisotopic mass495.199432 Da
  • ChemSpider ID25057085

More details:

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

1-{3-[(4-Amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-{3-[(4-Amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-{3-[(4-Amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)méthyl]phényl}-3-[3-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
1093380-38-1 [RN]
Urea, N-[3-[(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-N'-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
PD3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 589.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.3±30.1 °C
Index of Refraction: 1.685
Molar Refractivity: 127.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2003.33
ACD/KOC (pH 5.5): 7694.91
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2327.84
ACD/KOC (pH 7.4): 8941.34
Polar Surface Area: 111 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 334.4±7.0 cm3

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