ChemSpider 2D Image | 1-[5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methyl-2-pyridinyl)ethanone | C23H19FN6O

1-[5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methyl-2-pyridinyl)ethanone

  • Molecular FormulaC23H19FN6O
  • Average mass414.435 Da
  • Monoisotopic mass414.160431 Da
  • ChemSpider ID35034759

More details:






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

1-[5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluor-1H-indol-1-yl]-2-(6-methyl-2-pyridinyl)ethanon [German] [ACD/IUPAC Name]
1-[5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methyl-2-pyridinyl)ethanone [ACD/IUPAC Name]
1-[5-(4-Amino-7-méthyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-méthyl-2-pyridinyl)éthanone [French] [ACD/IUPAC Name]
1-[5-(4-Amino-7-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl)-4-Fluoro-1h-Indol-1-Yl]-2-(6-Methylpyridin-2-Yl)ethanone
Ethanone, 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methyl-2-pyridinyl)- [ACD/Index Name]
27D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 670.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.1±31.5 °C
Index of Refraction: 1.722
Molar Refractivity: 115.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 105.74
ACD/KOC (pH 5.5): 816.49
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 197.96
ACD/KOC (pH 7.4): 1528.53
Polar Surface Area: 92 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 290.9±7.0 cm3

Click to predict properties on the Chemicalize site






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