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    Pimicotinib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Schembl21425530, Hy-153920, Cs-0866823
    Molecular Formula
    C22H24N6O3
    Molecular Weight
    420.5  g/mol
    InChI Key
    NXFPMDWYDKHFMM-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]-2-oxopyrrolidine-1-carboxamide
    2.1.2 InChI
    InChI=1S/C22H24N6O3/c1-14-18(31-16-7-9-23-17(11-16)15-12-24-27(4)13-15)5-6-19(25-14)26-21(30)28-10-8-22(2,3)20(28)29/h5-7,9,11-13H,8,10H2,1-4H3,(H,25,26,30)
    2.1.3 InChI Key
    NXFPMDWYDKHFMM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=N1)NC(=O)N2CCC(C2=O)(C)C)OC3=CC(=NC=C3)C4=CN(N=C4)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl21425530

    2. Hy-153920

    3. Cs-0866823

    2.3 Create Date
    2019-11-02
    3 Chemical and Physical Properties
    Molecular Weight 420.5 g/mol
    Molecular Formula C22H24N6O3
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area102
    Heavy Atom Count31
    Formal Charge0
    Complexity674
    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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