ChemSpider 2D Image | 6-{[5,7-Dimethyl-6-(4-methylbenzyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one | C32H29N7O2

6-{[5,7-Dimethyl-6-(4-methylbenzyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

  • Molecular FormulaC32H29N7O2
  • Average mass543.618 Da
  • Monoisotopic mass543.238281 Da
  • ChemSpider ID34267372

More details:

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

6-{[5,7-Dimethyl-6-(4-methylbenzyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-on [German] [ACD/IUPAC Name]
6-{[5,7-Dimethyl-6-(4-methylbenzyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one [ACD/IUPAC Name]
6-{[5,7-Diméthyl-6-(4-méthylbenzyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-2-phényl-5,6,7,8-tétrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one, 6-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl]-5,6,7,8-tetrahydro-2-phenyl- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.740
Molar Refractivity: 157.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 20.64
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 25.04
ACD/KOC (pH 7.4): 180.27
Polar Surface Area: 95 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 390.4±7.0 cm3

Click to predict properties on the Chemicalize site


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