ChemSpider 2D Image | 6-[(3S,4S)-1-Benzyl-4-methyl-3-pyrrolidinyl]-1-isopropyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C20H25N5O

6-[(3S,4S)-1-Benzyl-4-methyl-3-pyrrolidinyl]-1-isopropyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC20H25N5O
  • Average mass351.445 Da
  • Monoisotopic mass351.205902 Da
  • ChemSpider ID24635562

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-(1-methylethyl)-6-[(3S,4S)-4-methyl-1-(phenylmethyl)-3-pyrrolidinyl]- [ACD/Index Name]
6-[(3S,4S)-1-Benzyl-4-methyl-3-pyrrolidinyl]-1-isopropyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
6-[(3S,4S)-1-Benzyl-4-methyl-3-pyrrolidinyl]-1-isopropyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
6-[(3S,4S)-1-Benzyl-4-méthyl-3-pyrrolidinyl]-1-isopropyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
6-[(3s,4s)-1-Benzyl-4-Methylpyrrolidin-3-Yl]-1-(1-Methylethyl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
JAR

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 101.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.14
Polar Surface Area: 63 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 270.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement