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    Technical details about CAS 571188-82-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 571188-82-4

    BUILDING BLOCK

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    2D Structure
    Also known as: 571188-82-4, 4-[6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester, Tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylate, Tert-butyl 4-{6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl}piperazine-1-carboxylate, Cid 11157536, Schembl2074567
    Molecular Formula
    C27H34BrN7O3
    Molecular Weight
    584.5  g/mol
    InChI Key
    UTSOLZWQDXJQRH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C27H34BrN7O3/c1-17-20-16-30-25(32-23(20)35(24(36)22(17)28)18-7-5-6-8-18)31-21-10-9-19(15-29-21)33-11-13-34(14-12-33)26(37)38-27(2,3)4/h9-10,15-16,18H,5-8,11-14H2,1-4H3,(H,29,30,31,32)
    2.1.3 InChI Key
    UTSOLZWQDXJQRH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C5CCCC5)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 571188-82-4

    2. 4-[6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylic Acid Tert-butyl Ester

    3. Tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylate

    4. Tert-butyl 4-{6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl}piperazine-1-carboxylate

    5. Cid 11157536

    6. Schembl2074567

    7. Dtxsid20457133

    8. Amy14884

    9. Bcp11774

    10. Cs-b0335

    11. Wxa18882

    12. Mfcd09834002

    13. Zinc100052671

    14. Ac-29046

    15. Ds-18869

    16. Ft-0697069

    17. A869756

    18. 1-piperazinecarboxylic Acid,4-[6-[(6-bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-,1,1-dimethylethyl Ester

    19. 4-(6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-ylamino)pyridin-3-yl)piperazine-1-carboxylic Acid Tert-butyl Ester

    20. 4-[6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-carboxylic Acid Tert-butyl Ester

    21. 4-[6-[(6-bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1-piperazinecarboxylic Acid 1,1-dimethylethyl Ester

    22. 6-bromo-8-cyclopentyl-2-[[5-(4-boc-1-piperazinyl)-2-pyridyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7(8h)-one

    23. Tert-butyl 4-(6-((6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carbox Ylate

    24. Tert-butyl4-(6-((6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 584.5 g/mol
    Molecular Formula C27H34BrN7O3
    XLogP34.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass583.19065 g/mol
    Monoisotopic Mass583.19065 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity911
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1