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    Technical details about Cirtuvivint, learn more about the structure, uses, toxicity, action, side effects and more

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    Cirtuvivint

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    2D Structure
    1. Also known as: Cirtuvivint [inn], 7t1py32zph, 2143917-62-6, 4-pyridinecarboxamide, 2-(4-methyl-1-piperazinyl)-n-(6-(1-methyl-1h-pyrazol-4-yl)-3-isoquinolinyl)-, Unii-7t1py32zph, Chembl4784318
    Molecular Formula
    C24H25N7O
    Molecular Weight
    427.5  g/mol
    InChI Key
    BQWWOBKMDWACGC-UHFFFAOYSA-N
    FDA UNII
    7T1PY32ZPH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
    2.1.2 InChI
    InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32)
    2.1.3 InChI Key
    BQWWOBKMDWACGC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCN(CC1)C2=NC=CC(=C2)C(=O)NC3=NC=C4C=CC(=CC4=C3)C5=CN(N=C5)C
    2.2 Other Identifiers
    2.2.1 UNII
    7T1PY32ZPH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Cirtuvivint [inn]

    2. 7t1py32zph

    3. 2143917-62-6

    4. 4-pyridinecarboxamide, 2-(4-methyl-1-piperazinyl)-n-(6-(1-methyl-1h-pyrazol-4-yl)-3-isoquinolinyl)-

    5. Unii-7t1py32zph

    6. Chembl4784318

    7. Schembl19516414

    8. Bdbm293424

    9. Ex-a6035

    10. Us10106527, Compound 10

    11. Nsc835563

    12. Us10106527, Compound 142

    13. Us10106527, Compound 143

    14. Us10106527, Compound 144

    15. Us10106527, Compound 459

    16. Nsc-835563

    17. Sm08502

    18. Sm-08502

    19. Hy-137435

    20. Cs-0138635

    21. 2-(4-methylpiperazin-1-yl)-n-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide

    2.4 Create Date
    2018-01-29
    3 Chemical and Physical Properties
    Molecular Weight 427.5 g/mol
    Molecular Formula C24H25N7O
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass427.21205845 g/mol
    Monoisotopic Mass427.21205845 g/mol
    Topological Polar Surface Area79.2 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity640
    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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