Doravirine

CAS Registry Number®

1338225-97-0

CAS Name

Doravirine

Molecular Formula

C17H11ClF3N5O3

Molecular Mass

425.75

Cite this Page

Doravirine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1338225-97-0 (retrieved 2024-11-22) (CAS RN: 1338225-97-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)

InChIKey

InChIKey=ZIAOVIPSKUPPQW-UHFFFAOYSA-N

SMILES

O(C1=C(C(F)(F)F)C=CN(CC=2N(C)C(=O)NN2)C1=O)C3=CC(C#N)=CC(Cl)=C3

Canonical SMILES

N#CC1=CC(Cl)=CC(OC=2C(=O)N(C=CC2C(F)(F)F)CC3=NNC(=O)N3C)=C1

Other Names for this Substance

  • Benzonitrile, 3-chloro-5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]-
  • 3-Chloro-5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
  • MK 1439
  • Doravirine
  • 3-Chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration