ChemSpider 2D Image | (2R)-2-(2-{2-[2-{[1-(1-Methyl-4-piperidinyl)-1H-pyrazol-4-yl]amino}-5-(trifluoromethyl)-4-pyrimidinyl]ethyl}phenyl)propanamide | C25H30F3N7O

(2R)-2-(2-{2-[2-{[1-(1-Methyl-4-piperidinyl)-1H-pyrazol-4-yl]amino}-5-(trifluoromethyl)-4-pyrimidinyl]ethyl}phenyl)propanamide

  • Molecular FormulaC25H30F3N7O
  • Average mass501.547 Da
  • Monoisotopic mass501.246399 Da
  • ChemSpider ID76801402

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(2-{2-[2-{[1-(1-Methyl-4-piperidinyl)-1H-pyrazol-4-yl]amino}-5-(trifluormethyl)-4-pyrimidinyl]ethyl}phenyl)propanamid [German] [ACD/IUPAC Name]
(2R)-2-(2-{2-[2-{[1-(1-Methyl-4-piperidinyl)-1H-pyrazol-4-yl]amino}-5-(trifluoromethyl)-4-pyrimidinyl]ethyl}phenyl)propanamide [ACD/IUPAC Name]
(2R)-2-(2-{2-[2-{[1-(1-Méthyl-4-pipéridinyl)-1H-pyrazol-4-yl]amino}-5-(trifluorométhyl)-4-pyrimidinyl]éthyl}phényl)propanamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-methyl-2-[2-[2-[[1-(1-methyl-4-piperidinyl)-1H-pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyrimidinyl]ethyl]-, (αR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.4±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 130.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 9.42
ACD/KOC (pH 7.4): 86.97
Polar Surface Area: 102 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 367.3±7.0 cm3

Click to predict properties on the Chemicalize site


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