ChemSpider 2D Image | 6-{[(1S)-1-(4-Chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C18H20ClN5O

6-{[(1S)-1-(4-Chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC18H20ClN5O
  • Average mass357.837 Da
  • Monoisotopic mass357.135651 Da
  • ChemSpider ID59053443

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4H-Pyrazolo[3,4-d]pyrimidin-4-one, 6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-1,5-dihydro- [ACD/Index Name]
6-{[(1S)-1-(4-Chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
6-{[(1S)-1-(4-Chlorophényl)éthyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
6-{[(1S)-1-(4-Chlorphenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
(S)-C33
[2066488-39-7] [RN]
2066488-39-7 [RN]
49D
6-[[(1S)-1-(4-Chlorophenyl)ethyl]amino]-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
C33(S)
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzymes Tocris Bioscience 6035
      Phosphodiesterases Tocris Bioscience 6035
      Potent PDE9 inhibitor Tocris Bioscience 6035
      Potent PDE9 inhibitor (IC50 = 11 nM). Tocris Bioscience 6035

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.725
Molar Refractivity: 96.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.04
ACD/KOC (pH 5.5): 1032.10
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 95.81
ACD/KOC (pH 7.4): 867.14
Polar Surface Area: 71 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 243.6±7.0 cm3

Click to predict properties on the Chemicalize site


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