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    Enzomenib

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    2D Structure
    Also known as: Enzomenib [inn], Vw83y2jlz5, Chembl5314915, Schembl21782940, Us10815241, example 6, Bdbm470581
    Molecular Formula
    C33H43FN6O3
    Molecular Weight
    590.7  g/mol
    InChI Key
    JQHJEDMMWUIYCE-FVVBACEJSA-N
    FDA UNII
    VW83Y2JLZ5
    DSP-5336 is a menin inhibitor.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-fluoro-2-[4-[7-[(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-N,N-di(propan-2-yl)benzamide
    2.1.2 InChI
    InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25+,29-/m0/s1
    2.1.3 InChI Key
    JQHJEDMMWUIYCE-FVVBACEJSA-N
    2.1.4 Canonical SMILES
    CC(C)N(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)C(=O)C5C6CCC(N5)CC6=C
    2.1.5 Isomeric SMILES
    CC(C)N(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)C(=O)[C@@H]5[C@@H]6CC[C@H](N5)CC6=C
    2.2 Other Identifiers
    2.2.1 UNII
    VW83Y2JLZ5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Enzomenib [inn]

    2. Vw83y2jlz5

    3. Chembl5314915

    4. Schembl21782940

    5. Us10815241, Example 6

    6. Bdbm470581

    7. Dsp-5336

    8. 2412555-70-3

    9. 5-fluoro-2-[(4-{7-[(1s,3s,4r)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl}pyrimidin-5-yl)oxy]-n,n-di(propan-2-yl)benzamide

    10. 5-fluoro-2-[[4-[7-[[(1s,3s,4r)-5-methylene-2-azabicyclo[2.2.2]oct-3-yl]carbonyl]-2,7-diazaspiro[3.5]non-2-yl]-5-pyrimidinyl]oxy]-n,n-bis(1-methylethyl)benzamide

    11. Benzamide, 5-fluoro-2-((4-(7-(((1s,3s,4r)-5-methylene-2-azabicyclo(2.2.2)oct-3-yl)carbonyl)-2,7-diazaspiro(3.5)non-2-yl)-5-pyrimidinyl)oxy)-n,n-bis(1-methylethyl)-

    2.4 Create Date
    2020-06-27
    3 Chemical and Physical Properties
    Molecular Weight 590.7 g/mol
    Molecular Formula C33H43FN6O3
    XLogP34
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area90.9
    Heavy Atom Count43
    Formal Charge0
    Complexity1030
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1