ChemSpider 2D Image | 6-Cyclopropyl-1-isopropyl-3-methyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide | C29H31N5O4

6-Cyclopropyl-1-isopropyl-3-methyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID12546955

More details:

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

1H-Pyrazolo[3,4-b]pyridine-4-carboxamide, 6-cyclopropyl-3-methyl-1-(1-methylethyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]- [ACD/Index Name]
6-Cyclopropyl-1-isopropyl-3-methyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-carboxamid [German] [ACD/IUPAC Name]
6-Cyclopropyl-1-isopropyl-3-methyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide [ACD/IUPAC Name]
6-Cyclopropyl-1-isopropyl-3-méthyl-N-[3-nitro-5-(2,3,5-triméthylphénoxy)phényl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide [French] [ACD/IUPAC Name]
[6-cyclopropyl-3-methyl-1-(methylethyl)pyrazolo[5,4-b]pyridin-4-yl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]carboxamide
6-Cyclopropyl-1-isopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid [3-nitro-5-(2,3,5-trimethyl-phenoxy)-phenyl]-amide
6-cyclopropyl-3-methyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 603.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.0±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 143.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18234.68
ACD/KOC (pH 5.5): 39040.56
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18214.93
ACD/KOC (pH 7.4): 38998.27
Polar Surface Area: 115 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 385.0±7.0 cm3

Click to predict properties on the Chemicalize site


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