ChemSpider 2D Image | N-Cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | C24H21F2N5O2

N-Cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide

  • Molecular FormulaC24H21F2N5O2
  • Average mass449.453 Da
  • Monoisotopic mass449.166321 Da
  • ChemSpider ID24625584

More details:

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

Benzamide, N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-6,7-dihydro-7-methyl-6-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-4-methyl- [ACD/Index Name]
N-Cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide [ACD/IUPAC Name]
N-Cyclopropyl-3-{[1-(2,4-difluorophényl)-7-méthyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-méthylbenzamide [French] [ACD/IUPAC Name]
N-Cyclopropyl-3-{[1-(2,4-difluorphenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamid [German] [ACD/IUPAC Name]
N-cyclopropyl-3-(1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydropyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
P37
  • Miscellaneous

    • Chemical Class:

      A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydropyrazolo[3,4-<ital>b</ital>]pyridin-4-yl]amino}-4-methy lbenzoic acid with the amino group of cyclopropylamine. ChEBI CHEBI:82714
      A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydropyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzoic acid with the amino group of cyclopropylamine. ChEBI CHEBI:82714

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

Density: 1.4±0.1 g/cm3
Boiling Point: 599.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.6±30.1 °C
Index of Refraction: 1.690
Molar Refractivity: 118.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.57
ACD/KOC (pH 5.5): 466.56
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.57
ACD/KOC (pH 7.4): 466.57
Polar Surface Area: 79 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 310.3±7.0 cm3

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