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    Nerandomilast

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1423719-30-5, Bi 1015550, Bi-1015550, Nerandomilast [inn], I5dgt51ib8, Schembl25606332
    Molecular Formula
    C20H25ClN6O2S
    Molecular Weight
    449.0  g/mol
    InChI Key
    UHYCLWAANUGUMN-SSEXGKCCSA-N
    FDA UNII
    I5DGT51IB8
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [1-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
    2.1.2 InChI
    InChI=1S/C20H25ClN6O2S/c21-14-10-22-17(23-11-14)13-2-7-27(8-3-13)19-24-15-4-9-30(29)16(15)18(25-19)26-20(12-28)5-1-6-20/h10-11,13,28H,1-9,12H2,(H,24,25,26)/t30-/m1/s1
    2.1.3 InChI Key
    UHYCLWAANUGUMN-SSEXGKCCSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    I5DGT51IB8
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (1-(((5r)-2-(4-(5-chloropyrimidin-2-yl)piperidin-1-yl)-5-oxo-6,7-dihydrothieno(3,2-d)pyrimidin-4-yl)amino)cyclobutyl)methanol

    2. Bi 1015550

    2.3.2 Depositor-Supplied Synonyms

    1. 1423719-30-5

    2. Bi 1015550

    3. Bi-1015550

    4. Nerandomilast [inn]

    5. I5dgt51ib8

    6. Schembl25606332

    7. Gtpl12518

    8. Glxc-27143

    9. Ex-a7747

    10. Da-61644

    11. Bi1015550

    12. Hy-153192

    13. Cs-0654251

    14. Bi-1015550?

    15. (r)-2-(4-(5-chloropyrimidin-2-yl)piperidin-1-yl)-4-((1-(hydroxymethyl)cyclobutyl)amino)-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide

    16. [1-[[(5r)-2-[4-(5-chloropyrimidin-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol

    17. 1-[[(5r)-2-[4-(5-chloro-2-pyrimidinyl)-1-piperidinyl]-6,7-dihydro-5-oxidothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutanemethanol

    18. Cyclobutanemethanol, 1-[[(5r)-2-[4-(5-chloro-2-pyrimidinyl)-1-piperidinyl]-6,7-dihydro-5-oxidothieno[3,2-d]pyrimidin-4-yl]amino]-

    2.4 Create Date
    2023-01-03
    3 Chemical and Physical Properties
    Molecular Weight 449.0 g/mol
    Molecular Formula C20H25ClN6O2S
    XLogP31.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area123
    Heavy Atom Count30
    Formal Charge0
    Complexity624
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1