ChemSpider 2D Image | 2-{[2-({5-[(N,N-Dimethylglycyl)(methyl)amino]-2-methoxy-4-methylphenyl}amino)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide | C26H29FN8O3

2-{[2-({5-[(N,N-Dimethylglycyl)(methyl)amino]-2-methoxy-4-methylphenyl}amino)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide

  • Molecular FormulaC26H29FN8O3
  • Average mass520.559 Da
  • Monoisotopic mass520.234680 Da
  • ChemSpider ID24692863

More details:

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

2-{[2-({5-[(N,N-Dimethylglycyl)(methyl)amino]-2-methoxy-4-methylphenyl}amino)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorbenzamid [German] [ACD/IUPAC Name]
2-{[2-({5-[(N,N-Dimethylglycyl)(methyl)amino]-2-methoxy-4-methylphenyl}amino)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide [ACD/IUPAC Name]
2-{[2-({5-[(N,N-Diméthylglycyl)(méthyl)amino]-2-méthoxy-4-méthylphényl}amino)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide [French] [ACD/IUPAC Name]
Benzamide, 2-[[2-[[5-[[2-(dimethylamino)acetyl]methylamino]-2-methoxy-4-methylphenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluoro- [ACD/Index Name]
GSK2219385A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL467581/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 761.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.4±35.7 °C
Index of Refraction: 1.705
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 32.87
ACD/KOC (pH 7.4): 343.32
Polar Surface Area: 142 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 375.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement