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    Chemistry

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    Also known as: 2392951-18-5, Qu3c48t4nv, Refchem:1101026, 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine, Vormatrigine [inn], Orb2695223
    Molecular Formula
    C16H12F6N4O2
    Molecular Weight
    406.28  g/mol
    InChI Key
    VOANOFDZGYTEPX-UHFFFAOYSA-N
    FDA UNII
    QU3C48T4NV
    Vormatrigine
    1 2D Structure

    Vormatrigine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
    2.1.2 InChI
    InChI=1S/C16H12F6N4O2/c1-2-28-16(21,22)14-25-24-12-4-3-9(7-26(12)14)10-5-11(17)13(23-6-10)27-8-15(18,19)20/h3-7H,2,8H2,1H3
    2.1.3 InChI Key
    VOANOFDZGYTEPX-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    QU3C48T4NV
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2392951-18-5

    2. Qu3c48t4nv

    3. Refchem:1101026

    4. 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine

    5. Vormatrigine [inn]

    6. Orb2695223

    7. Orb2695761

    8. Schembl23116256

    9. Voanofdzgytepx-uhfffaoysa-n

    10. Ex-a10103

    11. H42218

    12. 1,2,4-triazolo[4,3-a]pyridine, 3-(ethoxydifluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-

    13. 3-(ethoxydifluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-triazolo[4,3-a]pyridine

    14. 3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

    2.4 Create Date
    2020-08-13
    3 Chemical and Physical Properties
    Molecular Weight 406.28 g/mol
    Molecular Formula C16H12F6N4O2
    XLogP34
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area61.5
    Heavy Atom Count28
    Formal Charge0
    Complexity526
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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