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    Chemistry

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    Also known as: Tas-119, 1453099-83-6, Tas 119 [who-dd], 6a57j83j27, 4-piperidinecarboxylic acid, 1-(2,3-dichlorobenzoyl)-4-((5-fluoro-6-((5-methyl-1h-pyrazol-3-yl)amino)-2-pyridinyl)methyl)-, 1-(2,3-dichlorobenzoyl)-4-((5-fluoro-6-((5-methyl-1h-pyrazol-3-yl)amino)pyridin-2-yl)methyl)piperidine-4-carboxylic acid
    Molecular Formula
    C23H22Cl2FN5O3
    Molecular Weight
    506.4  g/mol
    InChI Key
    PLAVWQHGBMTMFR-UHFFFAOYSA-N
    FDA UNII
    6A57J83J27
    VIC-1911
    1 2D Structure

    VIC-1911

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2,3-dichlorobenzoyl)-4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl]methyl]piperidine-4-carboxylic acid
    2.1.2 InChI
    InChI=1S/C23H22Cl2FN5O3/c1-13-11-18(30-29-13)28-20-17(26)6-5-14(27-20)12-23(22(33)34)7-9-31(10-8-23)21(32)15-3-2-4-16(24)19(15)25/h2-6,11H,7-10,12H2,1H3,(H,33,34)(H2,27,28,29,30)
    2.1.3 InChI Key
    PLAVWQHGBMTMFR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=NN1)NC2=C(C=CC(=N2)CC3(CCN(CC3)C(=O)C4=C(C(=CC=C4)Cl)Cl)C(=O)O)F
    2.2 Other Identifiers
    2.2.1 UNII
    6A57J83J27
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(2,3-dichlorobenzoyl)-4-((5-fluoro-6-((5-methyl-1h-pyrazol-3-yl)amino)pyridin-2-yl)methyl)piperidine-4-carboxylic Acid

    2. Tas-119

    2.3.2 Depositor-Supplied Synonyms

    1. Tas-119

    2. 1453099-83-6

    3. Tas 119 [who-dd]

    4. 6a57j83j27

    5. 4-piperidinecarboxylic Acid, 1-(2,3-dichlorobenzoyl)-4-((5-fluoro-6-((5-methyl-1h-pyrazol-3-yl)amino)-2-pyridinyl)methyl)-

    6. 1-(2,3-dichlorobenzoyl)-4-((5-fluoro-6-((5-methyl-1h-pyrazol-3-yl)amino)pyridin-2-yl)methyl)piperidine-4-carboxylic Acid

    7. Tas119

    8. Chembl3692206

    9. Schembl16341234

    10. Unii-6a57j83j27

    11. Gtpl12070

    12. Vic1911

    13. Ex-a5696

    14. Vic 1911

    15. Example 1 [us10092556b2]

    16. Hy-137377

    17. Cs-0138153

    18. A936878

    2.4 Create Date
    2013-09-16
    3 Chemical and Physical Properties
    Molecular Weight 506.4 g/mol
    Molecular Formula C23H22Cl2FN5O3
    XLogP34.4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area111
    Heavy Atom Count34
    Formal Charge0
    Complexity741
    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

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    Protein Kinase Inhibitors

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

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