ChemSpider 2D Image | N-{2-[(3,4-Dichlorophenyl)amino]-2-oxoethyl}-6-isopropyl-N,1,3-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide | C21H23Cl2N5O2

N-{2-[(3,4-Dichlorophenyl)amino]-2-oxoethyl}-6-isopropyl-N,1,3-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

  • Molecular FormulaC21H23Cl2N5O2
  • Average mass448.346 Da
  • Monoisotopic mass447.122894 Da
  • ChemSpider ID21951010

More details:

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

1H-Pyrazolo[3,4-b]pyridine-4-carboxamide, N-[2-[(3,4-dichlorophenyl)amino]-2-oxoethyl]-N,1,3-trimethyl-6-(1-methylethyl)- [ACD/Index Name]
N-{2-[(3,4-Dichlorophenyl)amino]-2-oxoethyl}-6-isopropyl-N,1,3-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide [ACD/IUPAC Name]
N-{2-[(3,4-Dichlorophényl)amino]-2-oxoéthyl}-6-isopropyl-N,1,3-triméthyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide [French] [ACD/IUPAC Name]
N-{2-[(3,4-Dichlorphenyl)amino]-2-oxoethyl}-6-isopropyl-N,1,3-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 118.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 446.85
ACD/KOC (pH 5.5): 2743.99
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 447.53
ACD/KOC (pH 7.4): 2748.20
Polar Surface Area: 80 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 329.4±7.0 cm3

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