ChemSpider 2D Image | N-[5-(4-Chlorobenzyl)-2,6-dimethyl-4-pyrimidinyl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-amine | C26H23ClN6

N-[5-(4-Chlorobenzyl)-2,6-dimethyl-4-pyrimidinyl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-amine

  • Molecular FormulaC26H23ClN6
  • Average mass454.954 Da
  • Monoisotopic mass454.167267 Da
  • ChemSpider ID34729668

More details:

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

1H-Pyrazolo[3,4-b]pyridin-5-amine, N-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-3-methyl-1-phenyl- [ACD/Index Name]
N-[5-(4-Chlorbenzyl)-2,6-dimethyl-4-pyrimidinyl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-amin [German] [ACD/IUPAC Name]
N-[5-(4-Chlorobenzyl)-2,6-dimethyl-4-pyrimidinyl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-amine [ACD/IUPAC Name]
N-[5-(4-Chlorobenzyl)-2,6-diméthyl-4-pyrimidinyl]-3-méthyl-1-phényl-1H-pyrazolo[3,4-b]pyridin-5-amine [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: 587.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.1±30.1 °C
Index of Refraction: 1.686
Molar Refractivity: 132.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 2235.25
ACD/KOC (pH 5.5): 4551.14
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19554.92
ACD/KOC (pH 7.4): 39815.34
Polar Surface Area: 69 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 349.2±7.0 cm3

Click to predict properties on the Chemicalize site


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