ChemSpider 2D Image | 1-(4-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea | C22H20F3N7O

1-(4-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

  • Molecular FormulaC22H20F3N7O
  • Average mass455.436 Da
  • Monoisotopic mass455.168152 Da
  • ChemSpider ID25060628

More details:

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

1-(4-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
1-[4-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-[3-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-[4-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-[4-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phényl]-3-[3-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
1-{4-[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]phenyl}-3-[3-(Trifluoromethyl)phenyl]urea
Urea, N-[4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-N'-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
1093380-42-7 [RN]
AD57
PD5

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

Density: 1.5±0.1 g/cm3
Boiling Point: 540.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.8±30.1 °C
Index of Refraction: 1.660
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 531.27
ACD/KOC (pH 5.5): 3042.64
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 571.49
ACD/KOC (pH 7.4): 3273.03
Polar Surface Area: 111 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 313.1±7.0 cm3

Click to predict properties on the Chemicalize site


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