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    AMP945

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Amp-945, Narmafotinib, 1393653-34-3, 16t7u12j7u, Amp945, 2-(2-(2-((2-methoxy-4-(1-methyl-4-piperidinyl)phenyl)amino)-5-(trifluoromethyl)-4-pyrimidinyl)ethyl)benzeneacetamide
    Molecular Formula
    C28H32F3N5O2
    Molecular Weight
    527.6  g/mol
    InChI Key
    AWJVIOYPZZZYAX-UHFFFAOYSA-N
    FDA UNII
    16T7U12J7U
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-[2-[2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
    2.1.2 InChI
    InChI=1S/C28H32F3N5O2/c1-36-13-11-19(12-14-36)21-8-10-24(25(15-21)38-2)35-27-33-17-22(28(29,30)31)23(34-27)9-7-18-5-3-4-6-20(18)16-26(32)37/h3-6,8,10,15,17,19H,7,9,11-14,16H2,1-2H3,(H2,32,37)(H,33,34,35)
    2.1.3 InChI Key
    AWJVIOYPZZZYAX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCC(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)CCC4=CC=CC=C4CC(=O)N)C(F)(F)F)OC
    2.2 Other Identifiers
    2.2.1 UNII
    16T7U12J7U
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Amp-945

    2. Narmafotinib

    3. 1393653-34-3

    4. 16t7u12j7u

    5. Amp945

    6. 2-(2-(2-((2-methoxy-4-(1-methyl-4-piperidinyl)phenyl)amino)-5-(trifluoromethyl)-4-pyrimidinyl)ethyl)benzeneacetamide

    7. Benzeneacetamide, 2-(2-(2-((2-methoxy-4-(1-methyl-4-piperidinyl)phenyl)amino)-5-(trifluoromethyl)-4-pyrimidinyl)ethyl)-

    8. Muzastotug

    9. Muzastotug [inn]

    10. Chembl3689071

    11. Schembl12479576

    12. Gtpl12373

    13. Bdbm176589

    14. Glxc-25724

    15. Ex-a5816

    16. Example 3 [us9120761b2]

    17. Ctx-0294945

    18. Ms-29765

    19. Hy-145652

    20. Cs-0377547

    21. Us9120761, 3

    22. 2-(2-(2-(2-((2-methoxy-4-(1-methylpiperidin-4-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide

    23. 2-[2-[2-[2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

    2.4 Create Date
    2012-09-19
    3 Chemical and Physical Properties
    Molecular Weight 527.6 g/mol
    Molecular Formula C28H32F3N5O2
    XLogP34.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count9
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area93.4
    Heavy Atom Count38
    Formal Charge0
    Complexity749
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1