ChemSpider 2D Image | 1-{4-[4-(4-Morpholinyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}-3-(3-pyridinyl)urea | C23H21F3N8O2

1-{4-[4-(4-Morpholinyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}-3-(3-pyridinyl)urea

  • Molecular FormulaC23H21F3N8O2
  • Average mass498.460 Da
  • Monoisotopic mass498.173950 Da
  • ChemSpider ID24637119

More details:

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

1-{4-[4-(4-Morpholinyl)-1-(2,2,2-trifluorethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}-3-(3-pyridinyl)harnstoff [German] [ACD/IUPAC Name]
1-{4-[4-(4-Morpholinyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}-3-(3-pyridinyl)urea [ACD/IUPAC Name]
1-{4-[4-(4-Morpholinyl)-1-(2,2,2-trifluoroéthyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phényl}-3-(3-pyridinyl)urée [French] [ACD/IUPAC Name]
Urea, N-[4-[4-(4-morpholinyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-N'-3-pyridinyl- [ACD/Index Name]
1-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(pyridin-3-yl)urea

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

Density: 1.5±0.1 g/cm3
Boiling Point: 523.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.5±30.1 °C
Index of Refraction: 1.685
Molar Refractivity: 124.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 99.17
ACD/KOC (pH 5.5): 878.57
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.61
ACD/KOC (pH 7.4): 1086.23
Polar Surface Area: 110 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 327.4±7.0 cm3

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