ChemSpider 2D Image | 2-[(2-Chloro-6-fluorobenzyl)(methyl)amino]-2-oxoethyl 6-isopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate | C22H24ClFN4O3

2-[(2-Chloro-6-fluorobenzyl)(methyl)amino]-2-oxoethyl 6-isopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate

  • Molecular FormulaC22H24ClFN4O3
  • Average mass446.902 Da
  • Monoisotopic mass446.152100 Da
  • ChemSpider ID30046457

More details:

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

1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1,3-dimethyl-6-(1-methylethyl)-, 2-[[(2-chloro-6-fluorophenyl)methyl]methylamino]-2-oxoethyl ester [ACD/Index Name]
2-[(2-Chlor-6-fluorbenzyl)(methyl)amino]-2-oxoethyl-6-isopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-carboxylat [German] [ACD/IUPAC Name]
2-[(2-Chloro-6-fluorobenzyl)(methyl)amino]-2-oxoethyl 6-isopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate [ACD/IUPAC Name]
6-Isopropyl-1,3-diméthyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate de 2-[(2-chloro-6-fluorobenzyl)(méthyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.0±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 308.24
ACD/KOC (pH 5.5): 2104.44
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 308.27
ACD/KOC (pH 7.4): 2104.66
Polar Surface Area: 77 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 340.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement