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    Befotertinib

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 1835667-63-4, Unii-0xt2cpr891, Befotertinib [inn], 0xt2cpr891, Surmana, D-0316
    Molecular Formula
    C29H32F3N7O2
    Molecular Weight
    567.6  g/mol
    InChI Key
    USOCZVZOXKTJTI-UHFFFAOYSA-N
    FDA UNII
    0XT2CPR891
    BEFOTERTINIB 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-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
    2.1.2 InChI
    InChI=1S/C29H32F3N7O2/c1-6-27(40)34-22-15-23(26(41-5)16-25(22)38(4)14-13-37(2)3)36-28-33-12-11-21(35-28)20-17-39(18-29(30,31)32)24-10-8-7-9-19(20)24/h6-12,15-17H,1,13-14,18H2,2-5H3,(H,34,40)(H,33,35,36)
    2.1.3 InChI Key
    USOCZVZOXKTJTI-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    0XT2CPR891
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1835667-63-4

    2. Unii-0xt2cpr891

    3. Befotertinib [inn]

    4. 0xt2cpr891

    5. Surmana

    6. D-0316

    7. N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide

    8. D0316

    9. 2-propenamide, N-(2-((2-(dimethylamino)ethyl)methylamino)-4-methoxy-5-((4-(1-(2,2,2-trifluoroethyl)-1h-indol-3-yl)-2-pyrimidinyl)amino)phenyl)-

    10. N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-(2,2,2-trifluoroethyl)-1h-indol-3-yl)pyrimidin-2-yl)amino)phenyl)prop-2-enamide

    11. Compound 4 [wo2019218987a1]

    12. D 0316

    13. Compound 4 (wo2019218987a1)

    14. N-(2-(2-(dimethylamino)ethyl-methylamino)-4-methoxy-5-((4-(1-(2,2,2-trifluoroethyl)indol-3-yl)pyrimidin-2-yl)amino)phenyl)prop-2-enamide

    15. Refchem:116874

    16. D-0316 [who-dd]

    17. Befotertinib [who-dd]

    18. Orb1303551

    19. Chembl5095167

    20. Schembl19337178

    21. Schembl29774263

    22. Schembl30595515

    23. Gtpl12951

    24. Usoczvzoxktjti-uhfffaoysa-n

    25. Glxc-26863

    26. Akos040757081

    27. Da-71363

    28. Ms-30266

    29. Hy-137433

    30. Cs-0138633

    31. F78035

    32. N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-(2,2,2-trifluoroethyl)-1h-indol-3-yl)pyrimidin-2-yl)amino)phenyl)acrylamide

    2.4 Create Date
    2017-10-07
    3 Chemical and Physical Properties
    Molecular Weight 567.6 g/mol
    Molecular Formula C29H32F3N7O2
    XLogP34.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count11
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area87.6
    Heavy Atom Count41
    Formal Charge0
    Complexity863
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1