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    Fezolinetant

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    2D Structure
    Also known as: 1629229-37-3, Esn364, Esn-364, Fezolinetant [usan], 83vne45kxx, A2693
    Molecular Formula
    C16H15FN6OS
    Molecular Weight
    358.4  g/mol
    InChI Key
    PPSNFPASKFYPMN-SECBINFHSA-N
    FDA UNII
    83VNE45KXX
    Fezolinetant is under investigation in clinical trial NCT04234204 (A Study to Find Out if Fezolinetant Helps Reduce Moderate to Severe Hot Flashes in Women in Asia Going Through Menopause).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
    2.1.2 InChI
    InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
    2.1.3 InChI Key
    PPSNFPASKFYPMN-SECBINFHSA-N
    2.1.4 Canonical SMILES
    CC1C2=NN=C(N2CCN1C(=O)C3=CC=C(C=C3)F)C4=NC(=NS4)C
    2.1.5 Isomeric SMILES
    C[C@@H]1C2=NN=C(N2CCN1C(=O)C3=CC=C(C=C3)F)C4=NC(=NS4)C
    2.2 Other Identifiers
    2.2.1 UNII
    83VNE45KXX
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Esn364

    2.3.2 Depositor-Supplied Synonyms

    1. 1629229-37-3

    2. Esn364

    3. Esn-364

    4. Fezolinetant [usan]

    5. 83vne45kxx

    6. A2693

    7. Chembl3608680

    8. As3472693-00

    9. (4-fluorophenyl)-[(8r)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5h-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

    10. Es-256364

    11. A-2693

    12. As-3472693-00

    13. (r)-(4-fluorophenyl)(8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl)methanone

    14. Methanone, ((8r)-5,6-dihydro-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1,2,4-triazolo(4,3-a)pyrazin-7(8h)-yl)(4-fluorophenyl)-

    15. Fezolinetant [inn]

    16. Unii-83vne45kxx

    17. Fezolinetant [who-dd]

    18. Schembl16114810

    19. Gtpl10422

    20. Esn-364esn-364

    21. Dtxsid601103615

    22. Ex-a6226

    23. Bdbm50112244

    24. Who 10205

    25. Compound 3 [pmid:26191358]

    26. Cs-7952

    27. Ac-36697

    28. Hy-19632

    29. D87169

    30. Q27269455

    31. ((8r)-5,6-dihydro-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1,2,4-triazolo(4,3-a)pyrazin-7(8h)-yl)(4-fluorophenyl)methanone

    32. (4-fluorophenyl)((8r)-5,6-dihydro-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-(1,2,4)triazolo(4,3-a)pyrazin-7(8h)-yl)methanone

    33. (4-fluorophenyl)((8r)-8-methyl-3-(3-methyl-1,2,4- Thiadiazol-5-yl)-5,6-dihydro-1,2,4-triazolo(4,3-a)pyrazin- 7(8h)-yl)methanone

    2.4 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 358.4 g/mol
    Molecular Formula C16H15FN6OS
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass358.10120846 g/mol
    Monoisotopic Mass358.10120846 g/mol
    Topological Polar Surface Area105 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity505
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1