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    Chemistry

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    Also known as: 2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol, Compound 18e [pmid: 31670517], Refchem:1082124, Jak2/flt3-in-1, 2387765-27-5, Flonoltinib
    Molecular Formula
    C25H34FN7O
    Molecular Weight
    467.6  g/mol
    InChI Key
    CVLXNRIQVFIVGY-UHFFFAOYSA-N
    FDA UNII
    S7MM9VTS3Z
    Flonoltinib
    1 2D Structure

    Flonoltinib

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]-methylamino]ethanol
    2.1.2 InChI
    InChI=1S/C25H34FN7O/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30)
    2.1.3 InChI Key
    CVLXNRIQVFIVGY-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    S7MM9VTS3Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol

    2. Compound 18e [pmid: 31670517]

    3. Refchem:1082124

    4. Jak2/flt3-in-1

    5. 2387765-27-5

    6. Flonoltinib

    7. Chembl4447631

    8. 36h

    9. S7mm9vts3z

    10. Orb1709375

    11. Schembl24663803

    12. Schembl29530956

    13. Gtpl10549

    14. Tqr1339

    15. Ex-a6364

    16. Bdbm50505817

    17. Akos040733486

    18. Hy-130247

    19. Cs-0106019

    20. G17143

    21. 2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethanol

    22. 2-[[1-[2-fluoro-4-[[5-methyl-4-[1-(1-methylethyl)-1h-pyrazol-4-yl]-2-pyrimidinyl]amino]phenyl]-4-piperidinyl]methylamino]ethanol

    23. Ethanol, 2-[[1-[2-fluoro-4-[[5-methyl-4-[1-(1-methylethyl)-1h-pyrazol-4-yl]-2-pyrimidinyl]amino]phenyl]-4-piperidinyl]methylamino]-

    2.4 Create Date
    2019-11-29
    3 Chemical and Physical Properties
    Molecular Weight 467.6 g/mol
    Molecular Formula C25H34FN7O
    XLogP33.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area82.3
    Heavy Atom Count34
    Formal Charge0
    Complexity620
    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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