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    Also known as: 2647949-48-0, Ontunisertib [inn], Sf6hgc94lk, Agmb-129, Orb2944887, Schembl28822081
    Molecular Formula
    C27H21F2N5O
    Molecular Weight
    469.5  g/mol
    InChI Key
    QGXRIRYULXOGDQ-UHFFFAOYSA-N
    FDA UNII
    SF6HGC94LK
    Ontunisertib
    1 2D Structure

    Ontunisertib

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(2,6-difluorophenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide
    2.1.2 InChI
    InChI=1S/C27H21F2N5O/c1-17-6-4-11-25(32-17)27-21(18-12-13-30-24-10-3-2-7-19(18)24)15-34(33-27)16-26(35)31-14-20-22(28)8-5-9-23(20)29/h2-13,15H,14,16H2,1H3,(H,31,35)
    2.1.3 InChI Key
    QGXRIRYULXOGDQ-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    SF6HGC94LK
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2647949-48-0

    2. Ontunisertib [inn]

    3. Sf6hgc94lk

    4. Agmb-129

    5. Orb2944887

    6. Schembl28822081

    7. Gtpl13846

    8. Org-129

    9. Bdbm739530

    10. Us12297186, Example 24

    11. Ex-a16343

    12. Example 26 [wo2021105317a1]

    13. Hy-168990

    14. 1h-pyrazole-1-acetamide, N-[(2,6-difluorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-4-(4-quinolinyl)-

    15. N-(2,6-difluorobenzyl)-2-(3-(6-methylpyridin-2-yl)-4-(quinolin-4-yl)-1h-pyrazol-1-yl)acetamide

    16. N-[(2,6-difluorophenyl)methyl]-2-[3-(6-methylpyridin-2-yl)-4-quinolin-4-ylpyrazol-1-yl]acetamide

    17. N-[(2,6-difluorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-4-(4-quinolinyl)-1h-pyrazole-1-acetamide

    2.4 Create Date
    2021-11-10
    3 Chemical and Physical Properties
    Molecular Weight 469.5 g/mol
    Molecular Formula C27H21F2N5O
    XLogP34.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area72.7
    Heavy Atom Count35
    Formal Charge0
    Complexity703
    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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