ChemSpider 2D Image | Tert-Butyl 6-{[2-Chloro-4-(1-Methyl-1h-Imidazol-5-Yl)phenyl]amino}-2-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridine-1-Carboxylate | C26H26ClN7O2

Tert-Butyl 6-{[2-Chloro-4-(1-Methyl-1h-Imidazol-5-Yl)phenyl]amino}-2-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridine-1-Carboxylate

  • Molecular FormulaC26H26ClN7O2
  • Average mass503.983 Da
  • Monoisotopic mass503.183655 Da
  • ChemSpider ID31133714

More details:

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

1400284-80-1 [RN]
1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid, 6-[[2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl]amino]-2-(1-methyl-1H-pyrazol-4-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-{[2-chloro-4-(1-methyl-1H-imidazol-5-yl)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-(1-methyl-1H-imidazol-5-yl)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-(1-méthyl-1H-imidazol-5-yl)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-(1-Methyl-1h-Imidazol-5-Yl)phenyl]amino}-2-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridine-1-Carboxylate
cct251455
tert-Butyl 6-((2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
TTK
X21

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

Density: 1.4±0.1 g/cm3
Boiling Point: 731.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.9±35.7 °C
Index of Refraction: 1.674
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 4.83
ACD/KOC (pH 5.5): 19.93
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 370.58
ACD/KOC (pH 7.4): 1529.93
Polar Surface Area: 92 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 373.3±7.0 cm3

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