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    Chemistry

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    Also known as: 3056515-10-4, Schembl31198550, Azd9750, Ex-a13467, 4-chloro-7-[(3s)-3-[4-[4-[[4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidin-1-yl]methyl]piperidin-1-yl]phenyl]piperidin-1-yl]-1h-indazole-3-carbonitrile
    Molecular Formula
    C43H48ClN9O2
    Molecular Weight
    758.4  g/mol
    InChI Key
    GOWJHJUMPVCHAN-JGCGQSQUSA-N
    CID 172321976
    1 2D Structure

    CID 172321976

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-7-[(3S)-3-[4-[4-[[4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidin-1-yl]methyl]piperidin-1-yl]phenyl]piperidin-1-yl]-1H-indazole-3-carbonitrile
    2.1.2 InChI
    InChI=1S/C43H48ClN9O2/c1-49-38(23-31-6-9-34(24-39(31)49)53-22-16-40(54)46-43(53)55)30-14-18-50(19-15-30)26-28-12-20-51(21-13-28)33-7-4-29(5-8-33)32-3-2-17-52(27-32)37-11-10-35(44)41-36(25-45)47-48-42(37)41/h4-11,23-24,28,30,32H,2-3,12-22,26-27H2,1H3,(H,47,48)(H,46,54,55)/t32-/m1/s1
    2.1.3 InChI Key
    GOWJHJUMPVCHAN-JGCGQSQUSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 3056515-10-4

    2. Schembl31198550

    3. Azd9750

    4. Ex-a13467

    5. 4-chloro-7-[(3s)-3-[4-[4-[[4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidin-1-yl]methyl]piperidin-1-yl]phenyl]piperidin-1-yl]-1h-indazole-3-carbonitrile

    2.3 Create Date
    2024-11-01
    3 Chemical and Physical Properties
    Molecular Weight 758.4 g/mol
    Molecular Formula C43H48ClN9O2
    XLogP36.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count7
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area117
    Heavy Atom Count55
    Formal Charge0
    Complexity1400
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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