ChemSpider 2D Image | 2-{[1-(2-Fluoro-4-{[4-(1-isopropyl-1H-pyrazol-4-yl)-5-methyl-2-pyrimidinyl]amino}phenyl)-4-piperidinyl](methyl)amino}ethanol | C25H34FN7O

2-{[1-(2-Fluoro-4-{[4-(1-isopropyl-1H-pyrazol-4-yl)-5-methyl-2-pyrimidinyl]amino}phenyl)-4-piperidinyl](methyl)amino}ethanol

  • Molecular FormulaC25H34FN7O
  • Average mass467.582 Da
  • Monoisotopic mass467.280884 Da
  • ChemSpider ID103835539

More details:






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

2-{[1-(2-Fluor-4-{[4-(1-isopropyl-1H-pyrazol-4-yl)-5-methyl-2-pyrimidinyl]amino}phenyl)-4-piperidinyl](methyl)amino}ethanol [German] [ACD/IUPAC Name]
2-{[1-(2-Fluoro-4-{[4-(1-isopropyl-1H-pyrazol-4-yl)-5-methyl-2-pyrimidinyl]amino}phenyl)-4-piperidinyl](methyl)amino}ethanol [ACD/IUPAC Name]
2-{[1-(2-Fluoro-4-{[4-(1-isopropyl-1H-pyrazol-4-yl)-5-méthyl-2-pyrimidinyl]amino}phényl)-4-pipéridinyl](méthyl)amino}éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[[1-[2-fluoro-4-[[5-methyl-4-[1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]phenyl]-4-piperidinyl]methylamino]- [ACD/Index Name]
2387765-27-5 [RN]
JAK2/FLT3-IN-1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 660.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.1±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.84
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 17.74
ACD/KOC (pH 7.4): 142.64
Polar Surface Area: 82 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 368.5±7.0 cm3

Click to predict properties on the Chemicalize site






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