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    CAS 2212021-59-3

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    2D Structure
    Also known as: 2212021-59-3, 5h-pyrazolo(4,3-c)pyridine-5-carboxylic acid, 3-amino-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl ester, (4s), Refchem:538292, 889-020-6, Tert-butyl (s)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxylate, Tert-butyl (4s)-3-amino-2-(4-fluoro-3,5-dimethyl-phenyl)-4-methyl-6,7-dihydro-4h-pyrazolo[4,3-c]pyridine-5-carboxylate
    Molecular Formula
    C20H27FN4O2
    Molecular Weight
    374.5  g/mol
    InChI Key
    JPVNBRWFGNCDLO-ZDUSSCGKSA-N
    FDA UNII
    32PPS2R6U4
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl (4S)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
    2.1.2 InChI
    InChI=1S/C20H27FN4O2/c1-11-9-14(10-12(2)17(11)21)25-18(22)16-13(3)24(8-7-15(16)23-25)19(26)27-20(4,5)6/h9-10,13H,7-8,22H2,1-6H3/t13-/m0/s1
    2.1.3 InChI Key
    JPVNBRWFGNCDLO-ZDUSSCGKSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    32PPS2R6U4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2212021-59-3

    2. 5h-pyrazolo(4,3-c)pyridine-5-carboxylic Acid, 3-amino-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl Ester, (4s)

    3. Refchem:538292

    4. 889-020-6

    5. Tert-butyl (s)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxylate

    6. Tert-butyl (4s)-3-amino-2-(4-fluoro-3,5-dimethyl-phenyl)-4-methyl-6,7-dihydro-4h-pyrazolo[4,3-c]pyridine-5-carboxylate

    7. Tert-butyl (s)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo [4,3-c]pyridine-5-carboxylate

    8. C20h27fn4o2

    9. Orforglipron Impurity 34

    10. 32pps2r6u4

    11. Schembl20014821

    12. Mfcd34686615

    13. Sy326592

    14. F93756

    15. F986024

    16. (4s)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4h-pyrazolo[4,3-c]pyridine-5-carboxylic Acid Tert-butyl Ester

    17. (s)-5-boc-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridin-3-amine

    18. (s)-tert-butyl 3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-2h-pyrazolo[4,3-c]pyridine-5(4h)-carboxylate

    19. 1,1-dimethylethyl (4s)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-5h-pyrazolo[4,3-c]pyridine-5-carboxylate

    20. 5h-pyrazolo[4,3-c]pyridine-5-carboxylic Acid, 3-amino-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl Ester, (4s)-

    21. T-butyl (4s)-3-amino-2-(4-fluoro-3,5-dimethyl-phenyl)-4-methyl-6,7-dihydro-4h-pyrazolo[4,3-c]pyridine-5-carboxylate

    2.4 Create Date
    2018-06-23
    3 Chemical and Physical Properties
    Molecular Weight 374.5 g/mol
    Molecular Formula C20H27FN4O2
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area73.4
    Heavy Atom Count27
    Formal Charge0
    Complexity543
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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