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    NXP900

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    2D Structure
    Also known as: 1914078-41-3, Ecf-506, Tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate, Chembl3824089, Derivative 11a [pmid: 27115835], Tert-butyl n-[4-[4-amino-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]carbamate
    Molecular Formula
    C26H38N8O3
    Molecular Weight
    510.6  g/mol
    InChI Key
    GMPQGWXPDRNCBL-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[4-[4-amino-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]carbamate
    2.1.2 InChI
    InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)
    2.1.3 InChI Key
    GMPQGWXPDRNCBL-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Ecf506 Compound

    2. Tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)carbamate

    2.2.2 Depositor-Supplied Synonyms

    1. 1914078-41-3

    2. Ecf-506

    3. Tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate

    4. Chembl3824089

    5. Derivative 11a [pmid: 27115835]

    6. Tert-butyl N-[4-[4-amino-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]carbamate

    7. Derivative 11a (pmid: 27115835)

    8. Tert-butyl N-[4-(4-amino-1-{2-[4-(dimethylamino)piperidin-1-yl]ethyl}-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]carbamate

    9. Derivative 11a

    10. Tert-butyl N-(4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)carbamate

    11. Tert-butyl N-[4-(4-amino-1-{2-[4-(dimethylamino)piperidin-1-yl]ethyl}pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]carbamate

    12. Gtpl9186

    13. Nxp900

    14. Schembl18258375

    15. Ex-a3152

    16. Bdbm50184767

    17. Nsc854154

    18. Akos040759429

    19. Nsc-854154

    20. Ac-36398

    21. Be166437

    22. Da-52795

    23. Ms-29482

    24. Hy-112096

    25. Cs-0043341

    26. D87145

    27. Q27077149

    28. Ucw

    2.3 Create Date
    2016-07-22
    3 Chemical and Physical Properties
    Molecular Weight 510.6 g/mol
    Molecular Formula C26H38N8O3
    XLogP32.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count9
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area124
    Heavy Atom Count37
    Formal Charge0
    Complexity742
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1