ChemSpider 2D Image | Cyclopropyl{5-[(4-{4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methyl-1H-pyrazol-1-yl}-2-pyrimidinyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indol-3-yl}methanone | C27H28F3N7O3

Cyclopropyl{5-[(4-{4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methyl-1H-pyrazol-1-yl}-2-pyrimidinyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indol-3-yl}methanone

  • Molecular FormulaC27H28F3N7O3
  • Average mass555.552 Da
  • Monoisotopic mass555.220581 Da
  • ChemSpider ID61748481

More details:

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

Cyclopropyl{5-[(4-{4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methyl-1H-pyrazol-1-yl}-2-pyrimidinyl)amino]-1-(2,2,2-trifluorethyl)-1H-indol-3-yl}methanon [German] [ACD/IUPAC Name]
Cyclopropyl{5-[(4-{4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methyl-1H-pyrazol-1-yl}-2-pyrimidinyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indol-3-yl}methanone [ACD/IUPAC Name]
Cyclopropyl{5-[(4-{4-[(4-hydroxy-4-méthyl-1,2-oxazolidin-2-yl)méthyl]-3-méthyl-1H-pyrazol-1-yl}-2-pyrimidinyl)amino]-1-(2,2,2-trifluoroéthyl)-1H-indol-3-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, cyclopropyl[5-[[4-[4-[(4-hydroxy-4-methyl-2-isoxazolidinyl)methyl]-3-methyl-1H-pyrazol-1-yl]-2-pyrimidinyl]amino]-1-(2,2,2-trifluoroethyl)-1H-indol-3-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 732.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.9±35.7 °C
Index of Refraction: 1.687
Molar Refractivity: 139.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.59
ACD/KOC (pH 5.5): 373.99
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.59
ACD/KOC (pH 7.4): 374.04
Polar Surface Area: 110 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 365.3±7.0 cm3

Click to predict properties on the Chemicalize site


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