There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.

ChemSpider 2D Image | Alpelisib | C19H22F3N5O2S


  • Molecular FormulaC19H22F3N5O2S
  • Average mass441.470 Da
  • Monoisotopic mass441.144623 Da
  • ChemSpider ID28424123
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N1-{4-Methyl-5-[2-(1,1,1-trifluor-2-methyl-2-propanyl)-4-pyridinyl]-1,3-thiazol-2-yl}-1,2-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
(2S)-N1-{4-Methyl-5-[2-(1,1,1-trifluoro-2-methyl-2-propanyl)-4-pyridinyl]-1,3-thiazol-2-yl}-1,2-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(2S)-N1-{4-Méthyl-5-[2-(1,1,1-trifluoro-2-méthyl-2-propanyl)-4-pyridinyl]-1,3-thiazol-2-yl}-1,2-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
(2S)-N1 -{4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin- 4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide
1,2-Pyrrolidinedicarboxamide, N1-[4-methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-, (2S)- [ACD/Index Name]
1217486-47-9 [RN]
1217486-61-7 [RN]
alpelisib [Spanish] [INN]

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

08W5N2C97Q [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      BYL719 is a potent and selective PI3K? inhibitor with IC50 of 5 nM, liitle or no effect on PI3K?/?/?.; IC50 value: 5 nM [1]; Target: PI3K?; in vitro: BYL719 inhibits the proliferation of breast cancer cell lines harboring PIK3CA mutations, correlating with inhibition of various downstream signaling components of the PI3K/Akt pathway [1].; in vivo: BYL719(>270 mg/d) shows statistically significant dose-dependent anti-tumor efficacy in PIK3CA mutant xenograft models in rodents. MedChem Express HY-15244
      PI3K MedChem Express HY-15244
      PI3K/Akt/mTOR MedChem Express HY-15244
      PI3K/Akt/mTOR; MedChem Express HY-15244

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 106.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 5.65
ACD/KOC (pH 5.5): 108.90
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.00
Polar Surface Area: 129 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 317.4±3.0 cm3

Click to predict properties on the Chemicalize site