ChemSpider 2D Image | (3R)-1-(4-Chlorophenyl)-N-{2-[4-(isobutylamino)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-5-oxo-3-pyrrolidinecarboxamide | C23H28ClN7O2S

(3R)-1-(4-Chlorophenyl)-N-{2-[4-(isobutylamino)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC23H28ClN7O2S
  • Average mass502.032 Da
  • Monoisotopic mass501.171356 Da
  • ChemSpider ID62405869

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-(4-Chlorophenyl)-N-{2-[4-(isobutylamino)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3R)-1-(4-Chlorophényl)-N-{2-[4-(isobutylamino)-6-(méthylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]éthyl}-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(3R)-1-(4-Chlorphenyl)-N-{2-[4-(isobutylamino)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-(4-chlorophenyl)-N-[2-[4-[(2-methylpropyl)amino]-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-oxo-, (3R)- [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: 1.701
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.36
ACD/KOC (pH 5.5): 836.70
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.36
ACD/KOC (pH 7.4): 846.48
Polar Surface Area: 130 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 349.3±7.0 cm3

Click to predict properties on the Chemicalize site


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