ChemSpider 2D Image | N~2~-(1-Cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide | C20H24N6O3

N2-(1-Cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide

  • Molecular FormulaC20H24N6O3
  • Average mass396.443 Da
  • Monoisotopic mass396.190979 Da
  • ChemSpider ID35035060
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

N2-(1-Cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamid [German] [ACD/IUPAC Name]
N2-(1-Cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide [ACD/IUPAC Name]
N2-(1-Cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-méthoxyphényl)-D-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-[(1-cyclopentyl-4,7-dihydro-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(4-methoxyphenyl)-, (2R)- [ACD/Index Name]
35O

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.63
ACD/KOC (pH 5.5): 201.53
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.63
ACD/KOC (pH 7.4): 201.56
Polar Surface Area: 110 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 274.0±7.0 cm3

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