ChemSpider 2D Image | parsaclisib | C20H22ClFN6O2

parsaclisib

  • Molecular FormulaC20H22ClFN6O2
  • Average mass432.879 Da
  • Monoisotopic mass432.147675 Da
  • ChemSpider ID64835232
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4R)-4-{3-[(1S)-1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chlor-2-ethoxy-6-fluorphenyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
(4R)-4-{3-[(1S)-1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl}-2-pyrrolidinone [ACD/IUPAC Name]
(4R)-4-{3-[(1S)-1-(4-Amino-3-méthyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)éthyl]-5-chloro-2-éthoxy-6-fluorophényl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
10589
1426698-88-5 [RN]
2-Pyrrolidinone, 4-[3-[(1S)-1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-, (4R)- [ACD/Index Name]
OS7097575K
parsaclisib [INN]
parsaclisib [French] [INN]
parsaclisib [Spanish] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 650.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.5±31.5 °C
Index of Refraction: 1.704
Molar Refractivity: 108.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.26
ACD/KOC (pH 5.5): 376.34
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.38
ACD/KOC (pH 7.4): 391.19
Polar Surface Area: 108 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 280.1±7.0 cm3

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