ChemSpider 2D Image | {4-Amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 1-isopropyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | C20H19FN8O2

{4-Amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 1-isopropyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

  • Molecular FormulaC20H19FN8O2
  • Average mass422.416 Da
  • Monoisotopic mass422.161499 Da
  • ChemSpider ID33096846

More details:

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

{4-Amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 1-isopropyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate [ACD/IUPAC Name]
{4-Amino-6-[(4-fluorphenyl)amino]-1,3,5-triazin-2-yl}methyl-1-isopropyl-1H-pyrazolo[3,4-b]pyridin-5-carboxylat [German] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 1-(1-methylethyl)-, [4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl ester [ACD/Index Name]
1-Isopropyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate de {4-amino-6-[(4-fluorophényl)amino]-1,3,5-triazin-2-yl}méthyle [French] [ACD/IUPAC 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: 671.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 359.9±34.3 °C
Index of Refraction: 1.716
Molar Refractivity: 110.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.83
ACD/KOC (pH 5.5): 303.90
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.29
ACD/KOC (pH 7.4): 310.62
Polar Surface Area: 134 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 281.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement