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Search term: MF = 'C_{29}H_{27}FN_{4}O_{3}'
ChemSpider 2D Image | 5-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methyl)-3-(4-fluorophenyl)-1-phenyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one | C29H27FN4O3

5-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methyl)-3-(4-fluorophenyl)-1-phenyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one

  • Molecular FormulaC29H27FN4O3
  • Average mass498.548 Da
  • Monoisotopic mass498.206726 Da
  • ChemSpider ID17909036

More details:

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

5-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methyl)-3-(4-fluorophenyl)-1-phenyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one [ACD/IUPAC Name]
5-({[2-(3,4-Diméthoxyphényl)éthyl]amino}méthyl)-3-(4-fluorophényl)-1-phényl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one [French] [ACD/IUPAC Name]
5-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methyl)-3-(4-fluorphenyl)-1-phenyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-on [German] [ACD/IUPAC Name]
6H-Pyrazolo[3,4-b]pyridin-6-one, 5-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-3-(4-fluorophenyl)-1,7-dihydro-1-phenyl- [ACD/Index 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: 706.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.1±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 7.16
ACD/KOC (pH 5.5): 28.60
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 364.14
ACD/KOC (pH 7.4): 1454.61
Polar Surface Area: 77 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 392.6±7.0 cm3

Click to predict properties on the Chemicalize site


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