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    HC-5404

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    2D Structure
    Also known as: Hc-5404, 2247396-91-2, Chembl4862478, Orb2566139, Z61gqt119g, Schembl23044519
    Molecular Formula
    C24H24F2N4O3
    Molecular Weight
    454.5  g/mol
    InChI Key
    BRIWRAFDHZTJPE-OAQYLSRUSA-N
    FDA UNII
    Z61GQT119G
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
    2.1.2 InChI
    InChI=1S/C24H24F2N4O3/c1-12(2)29-23(32)20-9-15(11-28-22(20)27)19-5-4-18(6-13(19)3)30-24(33)21(31)14-7-16(25)10-17(26)8-14/h4-12,21,31H,1-3H3,(H2,27,28)(H,29,32)(H,30,33)/t21-/m1/s1
    2.1.3 InChI Key
    BRIWRAFDHZTJPE-OAQYLSRUSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    Z61GQT119G
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Hc-5404

    2. 2247396-91-2

    3. Chembl4862478

    4. Orb2566139

    5. Z61gqt119g

    6. Schembl23044519

    7. Schembl29688162

    8. Schembl30475705

    9. Gtpl13275

    10. Hc-5404-fu

    11. Ex-a8670

    12. Bdbm50570941

    13. Compound 4 [pmid: 33895276]

    14. Da-53863

    15. Hy-157231

    16. Cs-0907951

    17. 2-amino-5-(4-(((2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl)amino)-2-methylphenyl)-n-(1-methylethyl)-3-pyridinecarboxamide

    18. 2-amino-5-[4-[[(2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-n-propan-2-ylpyridine-3-carboxamide

    19. 3-pyridinecarboxamide, 2-amino-5-(4-(((2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl)amino)-2-methylphenyl)-n-(1-methylethyl)-

    2.4 Create Date
    2019-12-06
    3 Chemical and Physical Properties
    Molecular Weight 454.5 g/mol
    Molecular Formula C24H24F2N4O3
    XLogP33.5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area117
    Heavy Atom Count33
    Formal Charge0
    Complexity672
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1