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    CAS 1223404-90-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1223404-90-7, Pyrazolo[1,5-a]pyrimidine, 5-[(2r)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]-3-nitro-, 5-[(2r)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]-3-nit ropyrazolo[1,5-a]pyrimidine, 5-[(2r)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]-3-nitropyrazolo[1,5-a]pyrimidine, Mfcd31922694, (r)-5-(2-(2,5-difluorophenyl)-1-pyrrolidinyl)-3-nitropyrazolo[1,5-a]pyrimidine
    Molecular Formula
    C16H13F2N5O2
    Molecular Weight
    345.30  g/mol
    InChI Key
    ZVNXKHRULOZLHG-CYBMUJFWSA-N
    FDA UNII
    HK74TQK39R
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-nitropyrazolo[1,5-a]pyrimidine
    2.1.2 InChI
    InChI=1S/C16H13F2N5O2/c17-10-3-4-12(18)11(8-10)13-2-1-6-21(13)15-5-7-22-16(20-15)14(9-19-22)23(24)25/h3-5,7-9,13H,1-2,6H2/t13-/m1/s1
    2.1.3 InChI Key
    ZVNXKHRULOZLHG-CYBMUJFWSA-N
    2.1.4 Canonical SMILES
    C1CC(N(C1)C2=NC3=C(C=NN3C=C2)[N+](=O)[O-])C4=C(C=CC(=C4)F)F
    2.1.5 Isomeric SMILES
    C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)[N+](=O)[O-])C4=C(C=CC(=C4)F)F
    2.2 Other Identifiers
    2.2.1 UNII
    HK74TQK39R
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1223404-90-7

    2. Pyrazolo[1,5-a]pyrimidine, 5-[(2r)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]-3-nitro-

    3. 5-[(2r)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]-3-nit Ropyrazolo[1,5-a]pyrimidine

    4. 5-[(2r)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]-3-nitropyrazolo[1,5-a]pyrimidine

    5. Mfcd31922694

    6. (r)-5-(2-(2,5-difluorophenyl)-1-pyrrolidinyl)-3-nitropyrazolo[1,5-a]pyrimidine

    7. Hk74tqk39r

    8. Larotrectinib Dfp-pnpp Impurity

    9. Schembl2238902

    10. Zvnxkhrulozlhg-cybmujfwsa-n

    11. Dtxsid301136532

    12. Amy12425

    13. Ac8540

    14. Akos040767756

    15. Bs-45438

    16. Cs-0196598

    17. (2r)-2-(2,5-difluorophenyl)-1-{3-nitropyrazolo[1,5-a]pyrimidin-5-yl}pyrrolidine

    18. 5-[(2r)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-nitro-pyrazolo[1,5-a]pyrimidine

    19. 5-[(2r)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-nitropyrazolo[1,5-a]pyrimidine

    2.3.2 Other Synonyms

    1. Cas 1223404-90-7

    2. (r)-5-(2-(2,5-difluorophenyl)-1-pyrrolidinyl)-3-nitropyrazolo[1,5-a]pyrimidine

    3. Pyrazolo[1,5-a]pyrimidine, 5-[(2r)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]-3-nitro-

    2.4 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 345.30 g/mol
    Molecular Formula C16H13F2N5O2
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area79.2
    Heavy Atom Count25
    Formal Charge0
    Complexity507
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1