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    Perzebertinib

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    2D Structure
    Also known as: Zn-a-1041, 2414056-31-6, 5-[(4r)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxy-n-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine, Perzebertinib [inn], Orb2565014, Un8tm5120c
    Molecular Formula
    C27H26F2N8O3
    Molecular Weight
    548.5  g/mol
    InChI Key
    PTKRHBXNNDLRPO-OAQYLSRUSA-N
    FDA UNII
    UN8TM5120C
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
    2.1.2 InChI
    InChI=1S/C27H26F2N8O3/c1-16-10-17(4-6-19(16)39-23-11-22-31-14-34-37(22)15-33-23)35-26-24-18(30-13-32-26)5-7-20(38-3)25(24)40-21-8-9-36(2)12-27(21,28)29/h4-7,10-11,13-15,21H,8-9,12H2,1-3H3,(H,30,32,35)/t21-/m1/s1
    2.1.3 InChI Key
    PTKRHBXNNDLRPO-OAQYLSRUSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    UN8TM5120C
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Zn-a-1041

    2. 2414056-31-6

    3. 5-[(4r)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxy-n-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine

    4. Perzebertinib [inn]

    5. Orb2565014

    6. Un8tm5120c

    7. Schembl21807999

    8. Gtpl13741

    9. Ptkrhbxnndlrpo-oaqylsrusa-n

    10. Bdbm612264

    11. Bdbm612287

    12. Us11723908, Example 37

    13. Us11723908, Example 77

    14. Zna-1041

    15. Ex-a11170

    16. Zn-1041

    17. Example 31 [wo2020057511a1]

    18. Hy-163428

    19. Cs-1016770

    20. (r)—n-(4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)-3-methylphenyl)-5-((3,3-difluoro-1-(methyl-d3)piperidin-4-yl)oxy)-6-(methoxy-d3)quinazolin-4-amine

    21. (s)-n-(4-([1,2,4]-triazolo[1,5-c]pyrimidin-7-yloxy)-3-methylphenyl)-5-((3,3-difluoro-1-methylpiperidin-4-yl)oxy)-6-(methoxy-d3)quinazolin-4-amine

    22. 4-quinazolinamine, 5-[[(4r)-3,3-difluoro-1-methyl-4-piperidinyl]oxy]-6-methoxy-n-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-

    23. 5-[[(4r)-3,3-difluoro-1-methyl-4-piperidinyl]oxy]-6-methoxy-n-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-4-quinazolinamine

    24. 5-{[(4r)-3,3-difluoro-1-methylpiperidin-4-yl]oxy}-6-methoxy-n-{3-methyl-4-[([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)oxy]phenyl}quinazolin-4-amine

    2.4 Create Date
    2020-06-27
    3 Chemical and Physical Properties
    Molecular Weight 548.5 g/mol
    Molecular Formula C27H26F2N8O3
    XLogP34.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count7
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area112
    Heavy Atom Count40
    Formal Charge0
    Complexity848
    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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