ChemSpider 2D Image | N-(2-{[2-(Dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)-2-pyrimidinyl]amino}phenyl)acrylamide | C28H31F3N8O2

N-(2-{[2-(Dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)-2-pyrimidinyl]amino}phenyl)acrylamide

  • Molecular FormulaC28H31F3N8O2
  • Average mass568.593 Da
  • Monoisotopic mass568.252197 Da
  • ChemSpider ID129059438

More details:

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

2-Propenamide, N-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)-2-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
N-(2-{[2-(Dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluormethyl)-2-pyrimidinyl]amino}phenyl)acrylamid [German] [ACD/IUPAC Name]
N-(2-{[2-(Dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)-2-pyrimidinyl]amino}phenyl)acrylamide [ACD/IUPAC Name]
N-(2-{[2-(Diméthylamino)éthyl](méthyl)amino}-4-méthoxy-5-{[4-(1-méthyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluorométhyl)-2-pyrimidinyl]amino}phényl)acrylamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 149.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.03
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 16.30
ACD/KOC (pH 7.4): 86.86
Polar Surface Area: 100 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 437.0±7.0 cm3

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