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    Acumapimod

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 836683-15-9, Acumapimod (bct-197), Acumapimod [inn], 3-(5-amino-4-(3-cyanobenzoyl)-1h-pyrazol-1-yl)-n-cyclopropyl-4-methylbenzamide, Bct-197, 2f16kw647l
    Molecular Formula
    C22H19N5O2
    Molecular Weight
    385.4  g/mol
    InChI Key
    VGUSQKZDZHAAEE-UHFFFAOYSA-N
    FDA UNII
    2F16KW647L
    Acumapimod is under investigation in clinical trial NCT02926326 (The Effect of Azithromycin on BCT197 Exposure in Healthy Male Volunteers).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
    2.1.2 InChI
    InChI=1S/C22H19N5O2/c1-13-5-6-16(22(29)26-17-7-8-17)10-19(13)27-21(24)18(12-25-27)20(28)15-4-2-3-14(9-15)11-23/h2-6,9-10,12,17H,7-8,24H2,1H3,(H,26,29)
    2.1.3 InChI Key
    VGUSQKZDZHAAEE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC=CC(=C4)C#N)N
    2.2 Other Identifiers
    2.2.1 UNII
    2F16KW647L
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(5-amino-4-(3-cyanobenzoyl)-1h-pyrazol-1-yl)-n-cyclopropyl-4-methylbenzamide

    2. Benzamide, 3-(5-amino-4-(3-cyanobenzoyl)-1h-pyrazol-1-yl)-n-cyclopropyl-4-methyl-

    2.3.2 Depositor-Supplied Synonyms

    1. 836683-15-9

    2. Acumapimod (bct-197)

    3. Acumapimod [inn]

    4. 3-(5-amino-4-(3-cyanobenzoyl)-1h-pyrazol-1-yl)-n-cyclopropyl-4-methylbenzamide

    5. Bct-197

    6. 2f16kw647l

    7. 3-(5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl)-n-cyclopropyl-4-methylbenzamide

    8. 3-[5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl]-n-cyclopropyl-4-methylbenzamide

    9. Benzamide, 3-(5-amino-4-(3-cyanobenzoyl)-1h-pyrazol-1-yl)-n-cyclopropyl-4-methyl-

    10. Unii-2f16kw647l

    11. Acumapimod [who-dd]

    12. Bct197

    13. Gtpl9203

    14. Schembl1382253

    15. Bct 197

    16. Bcp29101

    17. Ex-a1450

    18. Compound A [wo2013139809]

    19. Mfcd28902244

    20. Zinc116024237

    21. Cs-6195

    22. Db15448

    23. Sb18669

    24. Ac-36221

    25. Hy-16715

    26. D84042

    27. A915163

    28. Q27074309

    29. 3-[5-amino-4-(3-cyano-benzoyl)-pyrazol-1-yl]-n-cyclopropyl-4-methyl-benzamide

    30. 3-[5-amino-4-(3-cyanobenzoyl)-pyrazol-1-yl]-n-cyclopropyl-4-methylbenzamide

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 385.4 g/mol
    Molecular Formula C22H19N5O2
    XLogP33.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass385.15387487 g/mol
    Monoisotopic Mass385.15387487 g/mol
    Topological Polar Surface Area114 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity684
    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

    Protein Kinase Inhibitors

    Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)