ChemSpider 2D Image | 1-({5-[1-(4-Methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl]pentanoyl}amino)-N,N-dimethylcyclopropanecarboxamide | C25H30F3N5O4

1-({5-[1-(4-Methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl]pentanoyl}amino)-N,N-dimethylcyclopropanecarboxamide

  • Molecular FormulaC25H30F3N5O4
  • Average mass521.532 Da
  • Monoisotopic mass521.224976 Da
  • ChemSpider ID8182503

More details:

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

1-({5-[1-(4-Methoxyphenyl)-7-oxo-3-(trifluormethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl]pentanoyl}amino)-N,N-dimethylcyclopropancarboxamid [German] [ACD/IUPAC Name]
1-({5-[1-(4-Methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl]pentanoyl}amino)-N,N-dimethylcyclopropanecarboxamide [ACD/IUPAC Name]
1-({5-[1-(4-Méthoxyphényl)-7-oxo-3-(trifluorométhyl)-1,4,5,7-tétrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl]pentanoyl}amino)-N,N-diméthylcyclopropanecarboxamide [French] [ACD/IUPAC Name]
6H-Pyrazolo[3,4-c]pyridine-6-pentanamide, N-[1-[(dimethylamino)carbonyl]cyclopropyl]-1,4,5,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)- [ACD/Index 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: 725.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.7±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 129.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.05
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.63
ACD/KOC (pH 5.5): 134.82
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.63
ACD/KOC (pH 7.4): 134.82
Polar Surface Area: 97 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 377.4±7.0 cm3

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