Found 1 result

Search term: GGDJPBJMQBKBTC-AUUYWEPGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-[(3S,4S)-1-(4-Fluorobenzyl)-4-methyl-3-pyrrolidinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C22H26FN5O2

6-[(3S,4S)-1-(4-Fluorobenzyl)-4-methyl-3-pyrrolidinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC22H26FN5O2
  • Average mass411.473 Da
  • Monoisotopic mass411.207062 Da
  • ChemSpider ID28662100

  • 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, 6-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidinyl]-1,5-dihydro-1-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
6-[(3S,4S)-1-(4-Fluorbenzyl)-4-methyl-3-pyrrolidinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
6-[(3S,4S)-1-(4-Fluorobenzyl)-4-methyl-3-pyrrolidinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
6-[(3S,4S)-1-(4-Fluorobenzyl)-4-méthyl-3-pyrrolidinyl]-1-(tétrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC 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: 1.699
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.11
Polar Surface Area: 72 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 285.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement