ChemSpider 2D Image | 1-Methyl-5-(2-{[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino}-4-pyrimidinyl)-1H-pyrrole-3-carboxamide | C22H24F3N7O2

1-Methyl-5-(2-{[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino}-4-pyrimidinyl)-1H-pyrrole-3-carboxamide

  • Molecular FormulaC22H24F3N7O2
  • Average mass475.467 Da
  • Monoisotopic mass475.194366 Da
  • ChemSpider ID26325994

More details:






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

1H-Pyrrole-3-carboxamide, 1-methyl-5-[2-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-4-pyrimidinyl]- [ACD/Index Name]
1-Methyl-5-(2-{[5-(4-methyl-1-piperazinyl)-2-(trifluormethoxy)phenyl]amino}-4-pyrimidinyl)-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
1-Methyl-5-(2-{[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino}-4-pyrimidinyl)-1H-pyrrole-3-carboxamide [ACD/IUPAC Name]
1-Méthyl-5-(2-{[5-(4-méthyl-1-pipérazinyl)-2-(trifluorométhoxy)phényl]amino}-4-pyrimidinyl)-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]
1-Methyl-5-(2-{[5-(4-Methylpiperazin-1-Yl)-2-(Trifluoromethoxy)phenyl]amino}pyrimidin-4-Yl)-1h-Pyrrole-3-Carboxamide

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

939 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.1±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: 348.2±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 118.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.86
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 16.43
ACD/KOC (pH 7.4): 214.55
Polar Surface Area: 102 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 331.7±7.0 cm3

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