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    Pilavapadin

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Bms-986176, 1815613-42-3, Pilavapadin, Lx-9211, 9g4rlm5x6z, Lx9211
    Molecular Formula
    C19H23F4N3O
    Molecular Weight
    385.4  g/mol
    InChI Key
    RKAHOQATMSONTM-IBGZPJMESA-N
    FDA UNII
    9G4RLM5X6Z
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-1-[2-(difluoromethyl)-6-[2-(difluoromethyl)pyridin-4-yl]pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine
    2.1.2 InChI
    InChI=1S/C19H23F4N3O/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21/h4-8,11,17-18H,9-10,24H2,1-3H3/t19-/m0/s1
    2.1.3 InChI Key
    RKAHOQATMSONTM-IBGZPJMESA-N
    2.2 Other Identifiers
    2.2.1 UNII
    9G4RLM5X6Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Bms-986176

    2. 1815613-42-3

    3. Pilavapadin

    4. Lx-9211

    5. 9g4rlm5x6z

    6. Lx9211

    7. Unii-9g4rlm5x6z

    8. Us10155760, Example 123

    9. (2s)-1-((2',6-bis(difluoromethyl)(2,4'-bipyridin)-5-yl)oxy)-2,4-dimethyl-2-pentanamine

    10. 2-pentanamine, 1-((2',6-bis(difluoromethyl)(2,4'-bipyridin)-5-yl)oxy)-2,4-dimethyl-, (2s)-

    11. (2s)-1-[2-(difluoromethyl)-6-[2-(difluoromethyl)pyridin-4-yl]pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine

    12. Pilavapadin [inn]

    13. Chembl5089410

    14. Schembl17143265

    15. Gtpl11957

    16. Rkahoqatmsontm-ibgzpjmesa-n

    17. Bdbm311267

    18. Glxc-25389

    19. Ex-a5979

    20. Bms986176

    21. Akos040754879

    22. At32629

    23. Ms-26351

    24. Hy-134829

    25. Cs-0159550

    26. (2s)-1-{[2',6-bis(difluoromethyl)[2,4'-bipyridin]-5-yl]oxy}-2,4-dimethylpentan-2-amine

    27. (s)-1-((2',6-bis(difluoromethyl)-[2,4'-bipyridin]-5-yl)oxy)-2,4-dimethylpentan-2-amine

    2.4 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 385.4 g/mol
    Molecular Formula C19H23F4N3O
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area61
    Heavy Atom Count27
    Formal Charge0
    Complexity455
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1