ChemSpider 2D Image | 1-[5-(4-Amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone | C25H21F4N5O

1-[5-(4-Amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone

  • Molecular FormulaC25H21F4N5O
  • Average mass483.461 Da
  • Monoisotopic mass483.168213 Da
  • ChemSpider ID35035351

More details:

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

1-[5-(4-Amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluor-5-(trifluormethyl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[5-(4-Amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone [ACD/IUPAC Name]
1-[5-(4-Amino-2,7-diméthyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluorométhyl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]- [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: 653.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.1±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 73.37
ACD/KOC (pH 5.5): 306.60
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1327.12
ACD/KOC (pH 7.4): 5545.73
Polar Surface Area: 77 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 332.3±7.0 cm3

Click to predict properties on the Chemicalize site


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