ChemSpider 2D Image | 5-[(5-Methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[4-(trifluoromethyl)benzyl]-2-pyridinamine | C22H19F3N4O

5-[(5-Methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[4-(trifluoromethyl)benzyl]-2-pyridinamine

  • Molecular FormulaC22H19F3N4O
  • Average mass412.408 Da
  • Monoisotopic mass412.151093 Da
  • ChemSpider ID35035552

More details:

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

2-Pyridinamine, 5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
5-[(5-Methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[4-(trifluormethyl)benzyl]-2-pyridinamin [German] [ACD/IUPAC Name]
5-[(5-Methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[4-(trifluoromethyl)benzyl]-2-pyridinamine [ACD/IUPAC Name]
5-[(5-Méthoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)méthyl]-N-[4-(trifluorométhyl)benzyl]-2-pyridinamine [French] [ACD/IUPAC Name]
5-[(5-Methoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)methyl]-N-[4-(Trifluoromethyl)benzyl]pyridin-2-Amine
64M
923562-22-5 [RN]
PLX647(OMe)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 580.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.0±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 109.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 674.62
ACD/KOC (pH 5.5): 2401.52
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2920.19
ACD/KOC (pH 7.4): 10395.30
Polar Surface Area: 63 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 305.4±3.0 cm3

Click to predict properties on the Chemicalize site


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