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    Ubavitinib

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Azd3229, 2248003-60-1, Azd-3229, 9zgc48p3rv, Nb003 free base, Nb-003 free base
    Molecular Formula
    C24H26FN7O3
    Molecular Weight
    479.5  g/mol
    InChI Key
    FLJOFQUXYAWOPE-UHFFFAOYSA-N
    FDA UNII
    9ZGC48P3RV
    Pan-KIT mutant inhibitor
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-[[5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
    2.1.2 InChI
    InChI=1S/C24H26FN7O3/c1-15(2)21-12-32(31-30-21)13-22(33)28-16-4-6-17(7-5-16)29-24-23-19(25)10-18(35-9-8-34-3)11-20(23)26-14-27-24/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,28,33)(H,26,27,29)
    2.1.3 InChI Key
    FLJOFQUXYAWOPE-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    9ZGC48P3RV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Azd3229

    2.3.2 Depositor-Supplied Synonyms

    1. Azd3229

    2. 2248003-60-1

    3. Azd-3229

    4. 9zgc48p3rv

    5. Nb003 Free Base

    6. Nb-003 Free Base

    7. N-[4-[[5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

    8. N-(4-((5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl)amino)phenyl)-2-(4-propan-2-yltriazol-1-yl)acetamide

    9. Refchem:116038

    10. N-[4-[[5-fluoro-7-(2-methoxyethoxy)-4-quinazolinyl]amino]phenyl]-4-(1-methylethyl)-1h-1,2,3-triazole-1-acetamide

    11. Chembl4216473

    12. 2248003-60-1 (free Base)

    13. N-{4-[(6,7-dimethoxyquinazolin-4-yl)oxy]phenyl}-2-[4-(propan-2-yl)-1h-1,2,3-triazol-1-yl]acetamide

    14. 1h-1,2,3-triazole-1-acetamide, N-(4-((5-fluoro-7-(2-methoxyethoxy)-4-quinazolinyl)amino)phenyl)-4-(1-methylethyl)-

    15. N-(4-((5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl)amino)phenyl)-2-(4-(propan-2-yl)-1h-(1,2,3)triazol-1-yl)acetamide

    16. N-(4-((5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl)amino)phenyl)-2-(4-isopropyl-1h-1,2,3-triazol-1-yl)acetamide

    17. Ubavitinib [inn]

    18. Unii-9zgc48p3rv

    19. Orb1301814

    20. Schembl20546500

    21. Schembl29394680

    22. Schembl29883904

    23. C24h26fn7o3

    24. Gtpl12703

    25. Tqp0910

    26. Glxc-20855

    27. Azd 3229

    28. Azd3229?

    29. Ex-a2637

    30. Ypd00360

    31. Bdbm50459416

    32. Nsc813380

    33. S8780

    34. Akos037515681

    35. Nsc-813380

    36. Da-71196

    37. Ms-28916

    38. Hy-112802

    39. Cs-0065717

    40. G16506

    41. F8h

    42. N-[4-[[5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-isopropyltriazol-1-yl)acetamide

    2.4 Create Date
    2018-09-22
    3 Chemical and Physical Properties
    Molecular Weight 479.5 g/mol
    Molecular Formula C24H26FN7O3
    XLogP33.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count10
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area116
    Heavy Atom Count35
    Formal Charge0
    Complexity667
    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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