ChemSpider 2D Image | N-(3-Fluoro-4-{[7-(2-hydroxy-2-methylpropoxy)-4-quinolinyl]oxy}phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | C31H29FN4O5

N-(3-Fluoro-4-{[7-(2-hydroxy-2-methylpropoxy)-4-quinolinyl]oxy}phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

  • Molecular FormulaC31H29FN4O5
  • Average mass556.584 Da
  • Monoisotopic mass556.212219 Da
  • ChemSpider ID61719564

More details:






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

1H-Pyrazole-4-carboxamide, N-[3-fluoro-4-[[7-(2-hydroxy-2-methylpropoxy)-4-quinolinyl]oxy]phenyl]-2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl- [ACD/Index Name]
N-(3-Fluor-4-{[7-(2-hydroxy-2-methylpropoxy)-4-chinolinyl]oxy}phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(3-Fluoro-4-{[7-(2-hydroxy-2-méthylpropoxy)-4-quinoléinyl]oxy}phényl)-1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-(3-Fluoro-4-{[7-(2-hydroxy-2-methylpropoxy)-4-quinolinyl]oxy}phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1394820-69-9 [RN]
MFCD28502048
N-[3-fluoro-4-[[7-(2-hydroxy-2-methylpropoxy)-4-quinolinyl]oxy]phenyl]-2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxamide
Ningetinib

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 251.78
ACD/KOC (pH 5.5): 1550.81
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 438.59
ACD/KOC (pH 7.4): 2701.38
Polar Surface Area: 104 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 412.6±3.0 cm3

Click to predict properties on the Chemicalize site






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