ChemSpider 2D Image | Tert-Butyl 6-((2-Chloro-4-(Dimethylcarbamoyl)phenyl)amino)-2-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridine-1-Carboxylate | C25H27ClN6O3

Tert-Butyl 6-((2-Chloro-4-(Dimethylcarbamoyl)phenyl)amino)-2-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridine-1-Carboxylate

  • Molecular FormulaC25H27ClN6O3
  • Average mass494.973 Da
  • Monoisotopic mass494.183319 Da
  • ChemSpider ID31133702

More details:






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

1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid, 6-[[2-chloro-4-[(dimethylamino)carbonyl]phenyl]amino]-2-(1-methyl-1H-pyrazol-4-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-{[2-chlor-4-(dimethylcarbamoyl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
6-{[2-Chloro-4-(diméthylcarbamoyl)phényl]amino}-2-(1-méthyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Tert-Butyl 6-((2-Chloro-4-(Dimethylcarbamoyl)phenyl)amino)-2-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridine-1-Carboxylate
10.1021/jm401395s
7RO

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

Density: 1.3±0.1 g/cm3
Boiling Point: 695.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.3±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 135.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 5.12
ACD/KOC (pH 5.5): 27.09
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 171.23
ACD/KOC (pH 7.4): 905.36
Polar Surface Area: 94 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 377.5±7.0 cm3

Click to predict properties on the Chemicalize site






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