Alpelisib

CAS Registry Number®

1217486-61-7

CAS Name

Alpelisib

Molecular Formula

C19H22F3N5O2S

Molecular Mass

441.47

Cite this Page

Alpelisib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1217486-61-7 (retrieved 2024-11-21) (CAS RN: 1217486-61-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1

InChIKey

InChIKey=STUWGJZDJHPWGZ-LBPRGKRZSA-N

SMILES

CC1=C(C=2C=C(C(C(F)(F)F)(C)C)N=CC2)SC(NC(=O)N3[C@H](C(N)=O)CCC3)=N1

Canonical SMILES

O=C(N)C1N(C(=O)NC2=NC(=C(S2)C=3C=CN=C(C3)C(C)(C)C(F)(F)F)C)CCC1

Other Names for this Substance

  • 1,2-Pyrrolidinedicarboxamide, N1-[4-methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-, (2S)-
  • (2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxamide
  • (S)-Pyrrolidine-1,2-dicarboxylic acid 2-amide 1-[4-methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-pyridin-4-yl]thiazol-2-yl]amide
  • BYL 719
  • (S)-Pyrrolidine-1,2- dicarboxylic acid 2-amide- 1-([4-methyl-5-[2-(2,2,2-trifluoro-l,l-dimethyl-ethyl)-pyridin-4- yl]-thiazol-2-yl]-amide)

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Deleted or Replaced CAS Registry Numbers

1361185-44-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration