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    ACT 709478

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Act-709478, 1838651-58-3, 3z7u1u8z9e, N-(1-((5-cyanopyridin-2-yl)methyl)-1h-pyrazol-3-yl)-2-(4-(1-(trifluoromethyl)cyclopropyl)-phenyl)acetamide, Benzeneacetamide, n-[1-[(5-cyano-2-pyridinyl)methyl]-1h-pyrazol-3-yl]-4-[1-(trifluoromethyl)cyclopropyl]-, N-(1-((5-cyanopyridin-2-yl)methyl)pyrazol-3-yl)-2-(4-(1-(trifluoromethyl)cyclopropyl)phenyl)acetamide
    Molecular Formula
    C22H18F3N5O
    Molecular Weight
    425.4  g/mol
    InChI Key
    LSYANGLAZUZYFX-UHFFFAOYSA-N
    FDA UNII
    3Z7U1U8Z9E
    ACT-709478 is under investigation in clinical trial NCT03239691 (A Study to Evaluate the Effect of ACT-709478 in Photosensitive Epilepsy Patients).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[1-[(5-cyanopyridin-2-yl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
    2.1.2 InChI
    InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)
    2.1.3 InChI Key
    LSYANGLAZUZYFX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1(C2=CC=C(C=C2)CC(=O)NC3=NN(C=C3)CC4=NC=C(C=C4)C#N)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    3Z7U1U8Z9E
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Act-709478

    2. N-(1-((5-cyanopyridin-2-yl)methyl)pyrazol-3-yl)-2-(4-(1-(trifluoromethyl)cyclopropyl)phenyl)acetamide

    2.3.2 Depositor-Supplied Synonyms

    1. Act-709478

    2. 1838651-58-3

    3. 3z7u1u8z9e

    4. N-(1-((5-cyanopyridin-2-yl)methyl)-1h-pyrazol-3-yl)-2-(4-(1-(trifluoromethyl)cyclopropyl)-phenyl)acetamide

    5. Benzeneacetamide, N-[1-[(5-cyano-2-pyridinyl)methyl]-1h-pyrazol-3-yl]-4-[1-(trifluoromethyl)cyclopropyl]-

    6. N-(1-((5-cyanopyridin-2-yl)methyl)pyrazol-3-yl)-2-(4-(1-(trifluoromethyl)cyclopropyl)phenyl)acetamide

    7. N-[1-[(5-cyanopyridin-2-yl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

    8. Unii-3z7u1u8z9e

    9. Chembl4217292

    10. Schembl17316866

    11. Bcp30302

    12. Ex-a3130

    13. Bdbm50452245

    14. Akos037648975

    15. Act 709478

    16. Bs-16157

    17. Hy-112723

    18. Cs-0062884

    19. Act709478; Act 709478

    20. D80992

    2.4 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 425.4 g/mol
    Molecular Formula C22H18F3N5O
    XLogP33.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass425.14634470 g/mol
    Monoisotopic Mass425.14634470 g/mol
    Topological Polar Surface Area83.6 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity693
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Calcium Channel Blockers

    A class of drugs that act by selective inhibition of calcium influx through cellular membranes. (See all compounds classified as Calcium Channel Blockers.)