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    CAS 2212022-56-3

    BUILDING BLOCK

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    2D Structure
    Also known as: (s)-1-(4-fluoro-1-methyl-1h-indazol-5-yl)-3-(2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridin-3-yl)-1,3-dihydro-2h-imidazol-2-one, Refchem:407775, 998-345-3, 2212022-56-3, (s)-1-(4-fluoro-1-methyl-1h-indazol-5-yl)-3-(2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridin-3-yl)-1h-imidazol-2(3h)-one, 2h-imidazol-2-one, 1-[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydro-4-methyl-2h-pyrazolo[4,3-c]pyridin-3-yl]-3-(4-fluoro-1-methyl-1h-indazol-5-yl)-1,3-dihydro-
    Molecular Formula
    C26H25F2N7O
    Molecular Weight
    489.5  g/mol
    InChI Key
    RUAXBTGNBAFEOY-INIZCTEOSA-N
    FDA UNII
    4MY4T3LE4R
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(4-fluoro-1-methylindazol-5-yl)imidazol-2-one
    2.1.2 InChI
    InChI=1S/C26H25F2N7O/c1-14-11-17(12-15(2)23(14)27)35-25(22-16(3)29-8-7-19(22)31-35)34-10-9-33(26(34)36)21-6-5-20-18(24(21)28)13-30-32(20)4/h5-6,9-13,16,29H,7-8H2,1-4H3/t16-/m0/s1
    2.1.3 InChI Key
    RUAXBTGNBAFEOY-INIZCTEOSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    4MY4T3LE4R
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. (s)-1-(4-fluoro-1-methyl-1h-indazol-5-yl)-3-(2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridin-3-yl)-1,3-dihydro-2h-imidazol-2-one

    2. Refchem:407775

    3. 998-345-3

    4. 2212022-56-3

    5. (s)-1-(4-fluoro-1-methyl-1h-indazol-5-yl)-3-(2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridin-3-yl)-1h-imidazol-2(3h)-one

    6. 2h-imidazol-2-one, 1-[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydro-4-methyl-2h-pyrazolo[4,3-c]pyridin-3-yl]-3-(4-fluoro-1-methyl-1h-indazol-5-yl)-1,3-dihydro-

    7. 4my4t3le4r

    8. Schembl21183758

    9. Schembl30944770

    10. Ex-a15197

    11. H27217

    12. 1-[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydro-4-methyl-2h-pyrazolo[4,3-c]pyridin-3-yl]-3-(4-fluoro-1-methyl-1h-indazol-5-yl)-1,3-dihydro-2h-imidazol-2-one

    2.4 Create Date
    2019-11-02
    3 Chemical and Physical Properties
    Molecular Weight 489.5 g/mol
    Molecular Formula C26H25F2N7O
    XLogP33.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area71.2
    Heavy Atom Count36
    Formal Charge0
    Complexity865
    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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