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    Adrixetinib

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 2394874-66-7, N-[5-(6,7-dimethoxyquinolin-4-yl)oxypyridin-2-yl]-1-propyl-4-(2,2,2-trifluoroethoxy)pyrazole-3-carboxamide, N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-propyl-4-(2,2,2-trifluoroethoxy)-1h-pyrazole-3-carboxamide, Adrixetinib [inn], Jij7i9xo8b, Chembl5314452
    Molecular Formula
    C25H24F3N5O5
    Molecular Weight
    531.5  g/mol
    InChI Key
    BWUUJXXFCSYLFW-UHFFFAOYSA-N
    FDA UNII
    JIJ7I9XO8B
    ADRIXETINIB is a small molecule drug with a maximum clinical trial phase of II and has 1 investigational indication.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[5-(6,7-dimethoxyquinolin-4-yl)oxypyridin-2-yl]-1-propyl-4-(2,2,2-trifluoroethoxy)pyrazole-3-carboxamide
    2.1.2 InChI
    InChI=1S/C25H24F3N5O5/c1-4-9-33-13-21(37-14-25(26,27)28)23(32-33)24(34)31-22-6-5-15(12-30-22)38-18-7-8-29-17-11-20(36-3)19(35-2)10-16(17)18/h5-8,10-13H,4,9,14H2,1-3H3,(H,30,31,34)
    2.1.3 InChI Key
    BWUUJXXFCSYLFW-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    JIJ7I9XO8B
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2394874-66-7

    2. N-[5-(6,7-dimethoxyquinolin-4-yl)oxypyridin-2-yl]-1-propyl-4-(2,2,2-trifluoroethoxy)pyrazole-3-carboxamide

    3. N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-propyl-4-(2,2,2-trifluoroethoxy)-1h-pyrazole-3-carboxamide

    4. Adrixetinib [inn]

    5. Jij7i9xo8b

    6. Chembl5314452

    7. Schembl23456979

    8. Gtpl12375

    9. Glxc-26812

    10. Ex-a8325

    11. Example 7 [us2021163448a1]

    12. Da-70611

    13. Hy-152830

    14. Cs-0641058

    15. 1h-pyrazole-3-carboxamide, N-[5-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-pyridinyl]-1-propyl-4-(2,2,2-trifluoroethoxy)-

    16. N-[5-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-pyridinyl]-1-propyl-4-(2,2,2-trifluoroethoxy)-1h-pyrazole-3-carboxamide

    2.4 Create Date
    2021-08-21
    3 Chemical and Physical Properties
    Molecular Weight 531.5 g/mol
    Molecular Formula C25H24F3N5O5
    XLogP34.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count10
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area110
    Heavy Atom Count38
    Formal Charge0
    Complexity765
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1