ChemSpider 2D Image | 1-Cyclopentyl-6-[(1R)-1-(3-phenoxy-1-azetidinyl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C21H25N5O2

1-Cyclopentyl-6-[(1R)-1-(3-phenoxy-1-azetidinyl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC21H25N5O2
  • Average mass379.456 Da
  • Monoisotopic mass379.200836 Da
  • ChemSpider ID28669431
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-Cyclopentyl-6-[(1R)-1-(3-phenoxy-1-azetidinyl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
1-Cyclopentyl-6-[(1R)-1-(3-phenoxy-1-azetidinyl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
1-Cyclopentyl-6-[(1R)-1-(3-phénoxy-1-azétidinyl)éthyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
1-Cyclopentyl-6-[(1r)-1-(3-Phenoxyazetidin-1-Yl)ethyl]-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1-cyclopentyl-1,5-dihydro-6-[(1R)-1-(3-phenoxy-1-azetidinyl)ethyl]- [ACD/Index Name]
0WF

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: 1.724
Molar Refractivity: 105.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 3.19
ACD/KOC (pH 5.5): 54.63
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 10.93
ACD/KOC (pH 7.4): 187.07
Polar Surface Area: 72 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 266.5±7.0 cm3

Click to predict properties on the Chemicalize site






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