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    Technical details about BMF-219, learn more about the structure, uses, toxicity, action, side effects and more

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    BMF-219

    DEVELOPMENTS

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: Schembl22216034, Bmf-219, Ex-a6548, 2448172-22-1
    Molecular Formula
    C31H34N8O3
    Molecular Weight
    566.7  g/mol
    InChI Key
    CPRLHPSXWZTPMC-XMMPIXPASA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C31H34N8O3/c1-2-28(40)35-24-4-3-11-38(19-24)18-21-9-10-32-27(16-21)31(41)36-23-7-5-22(6-8-23)26-17-25-29(37-26)33-20-34-30(25)39-12-14-42-15-13-39/h2,5-10,16-17,20,24H,1,3-4,11-15,18-19H2,(H,35,40)(H,36,41)(H,33,34,37)/t24-/m1/s1
    2.1.3 InChI Key
    CPRLHPSXWZTPMC-XMMPIXPASA-N
    2.1.4 Canonical SMILES
    C=CC(=O)NC1CCCN(C1)CC2=CC(=NC=C2)C(=O)NC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5N6CCOCC6
    2.1.5 Isomeric SMILES
    C=CC(=O)N[C@@H]1CCCN(C1)CC2=CC(=NC=C2)C(=O)NC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5N6CCOCC6
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl22216034

    2. Bmf-219

    3. Ex-a6548

    4. 2448172-22-1

    2.3 Create Date
    2020-12-19
    3 Chemical and Physical Properties
    Molecular Weight 566.7 g/mol
    Molecular Formula C31H34N8O3
    XLogP32.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass566.27538698 g/mol
    Monoisotopic Mass566.27538698 g/mol
    Topological Polar Surface Area128 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity924
    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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