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    2D Structure
    Also known as: 2649467-58-1, 2-pyridinecarboxamide, 4-[[[(2r,3s,4s,5r)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furanyl]carbonyl]amino]-, Suzetrigine [inn], Log73m21h5, Schembl23462160, Gtpl12630
    Molecular Formula
    C21H20F5N3O4
    Molecular Weight
    473.4  g/mol
    InChI Key
    XSQUJFKRXZMOKA-PAFIKIDNSA-N
    FDA UNII
    LOG73M21H5
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C21H20F5N3O4/c1-9-14(11-4-5-12(22)15(23)16(11)32-3)17(33-20(9,2)21(24,25)26)19(31)29-10-6-7-28-13(8-10)18(27)30/h4-9,14,17H,1-3H3,(H2,27,30)(H,28,29,31)/t9-,14-,17+,20+/m0/s1
    2.1.3 InChI Key
    XSQUJFKRXZMOKA-PAFIKIDNSA-N
    2.1.4 Canonical SMILES
    CC1C(C(OC1(C)C(F)(F)F)C(=O)NC2=CC(=NC=C2)C(=O)N)C3=C(C(=C(C=C3)F)F)OC
    2.1.5 Isomeric SMILES
    C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)NC2=CC(=NC=C2)C(=O)N)C3=C(C(=C(C=C3)F)F)OC
    2.2 Other Identifiers
    2.2.1 UNII
    LOG73M21H5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2649467-58-1

    2. 2-pyridinecarboxamide, 4-[[[(2r,3s,4s,5r)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furanyl]carbonyl]amino]-

    3. Suzetrigine [inn]

    4. Log73m21h5

    5. Schembl23462160

    6. Gtpl12630

    7. Vx548

    8. Ex-a7354

    9. Vx-548

    10. Compound 7 [wo2021113627a1]

    11. Hy-148800

    12. Cs-0641183

    13. 4-[(2r,3s,4s,5r)-3-(3,4-difluoro-2-methoxyphenyl)-4,5- Dimethyl-5-(trifluoromethyl)oxolane-2- Carboxamido]pyridine-2-carboxamide

    14. 4-[[(2r, 3s, 4s, 5r)-3-(3, 4-difluoro-2-methoxyphenyl)-4, 5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

    15. 4-[[(2r,3s,4s,5r)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

    16. 4-[[[(2r,3s,4s,5r)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furanyl]carbonyl]amino]-2-pyridinecarboxamide

    2.4 Create Date
    2021-08-21
    3 Chemical and Physical Properties
    Molecular Weight 473.4 g/mol
    Molecular Formula C21H20F5N3O4
    XLogP33
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area104
    Heavy Atom Count33
    Formal Charge0
    Complexity741
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1