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    Also known as: F8xny041cm, Unii-f8xny041cm, 2288850-57-5, Sovleplenib acetate (usan), Sovleplenib acetate [usan], (s)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-n-(morpholin-2-ylmethyl)pyrido(4,3-b)pyrazin-5-amine acetate
    Molecular Formula
    C26H34N6O5S
    Molecular Weight
    542.7  g/mol
    InChI Key
    QBCIPPQWMOBZQB-BDQAORGHSA-N
    FDA UNII
    F8XNY041CM
    Sovleplenib acetate
    1 2D Structure

    Sovleplenib acetate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    acetic acid;7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
    2.1.2 InChI
    InChI=1S/C24H30N6O3S.C2H4O2/c1-34(31,32)30-11-6-18(7-12-30)17-2-4-19(5-3-17)21-14-22-23(27-9-8-26-22)24(29-21)28-16-20-15-25-10-13-33-20;1-2(3)4/h2-5,8-9,14,18,20,25H,6-7,10-13,15-16H2,1H3,(H,28,29);1H3,(H,3,4)/t20-;/m0./s1
    2.1.3 InChI Key
    QBCIPPQWMOBZQB-BDQAORGHSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    F8XNY041CM
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. F8xny041cm

    2. Unii-f8xny041cm

    3. 2288850-57-5

    4. Sovleplenib Acetate (usan)

    5. Sovleplenib Acetate [usan]

    6. (s)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-n-(morpholin-2-ylmethyl)pyrido(4,3-b)pyrazin-5-amine Acetate

    7. Pyrido(3,4-b)pyrazin-5-amine, 7-(4-(1-(methylsulfonyl)-4-piperidinyl)phenyl)-n-((2s)-2-morpholinylmethyl)-, Acetate (1:1)

    8. Pyrido[3,4-b]pyrazin-5-amine, 7-[4-[1-(methylsulfonyl)-4-piperidinyl]phenyl]-n-[(2s)-2-morpholinylmethyl]-, Acetate (1:1)

    9. Schembl22977619

    10. Schembl29456586

    11. D12954

    12. 7-[4-[1-(methylsulfonyl)-4-piperidinyl]phenyl]-n-[(2s)-2-morpholinylmethyl]pyrido[3,4-b]pyrazin-5-amine Acetate

    13. 7-{4-[1-(methanesulfonyl)piperidin-4-yl]phenyl}-n-{[(2s)-morpholin-2-yl]methyl}pyrido[3,4-b]pyrazin-5-amine Acetate

    2.4 Create Date
    2021-08-21
    3 Chemical and Physical Properties
    Molecular Weight 542.7 g/mol
    Molecular Formula C26H34N6O5S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area155
    Heavy Atom Count38
    Formal Charge0
    Complexity779
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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