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    CAS 200575-15-1

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    CAS 200575-15-1
    Also known as: 200575-15-1, 1h-pyrazole-5-carboxamide, 4-[[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]benzoyl]amino]-1-methyl-3-propyl-, 4-[[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]-2-methyl-5-propylpyrazole-3-carboxamide, 4-[[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]benzoyl]amino]-1-methyl-3-propyl-1h-pyrazole-5-carboxamide, 4-{{2-ethoxy-5-[(4-methyl-1-piperazinyl)-sulfonyl]-benzoyl}-amino}-1-methyl-3-propyl-1h-pyrazole-5-carboxamide, Sildenafil impurity 22
    Molecular Formula
    C22H32N6O5S
    Molecular Weight
    492.6  g/mol
    InChI Key
    IFFGTBBYPRZJLD-UHFFFAOYSA-N
    1 2D Structure

    CAS 200575-15-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]-2-methyl-5-propylpyrazole-3-carboxamide
    2.1.2 InChI
    InChI=1S/C22H32N6O5S/c1-5-7-17-19(20(21(23)29)27(4)25-17)24-22(30)16-14-15(8-9-18(16)33-6-2)34(31,32)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H2,23,29)(H,24,30)
    2.1.3 InChI Key
    IFFGTBBYPRZJLD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCC1=NN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C)OCC)C(=O)N)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 200575-15-1

    2. 1h-pyrazole-5-carboxamide, 4-[[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]benzoyl]amino]-1-methyl-3-propyl-

    3. 4-[[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]-2-methyl-5-propylpyrazole-3-carboxamide

    4. 4-[[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]benzoyl]amino]-1-methyl-3-propyl-1h-pyrazole-5-carboxamide

    5. 4-{{2-ethoxy-5-[(4-methyl-1-piperazinyl)-sulfonyl]-benzoyl}-amino}-1-methyl-3-propyl-1h-pyrazole-5-carboxamide

    6. Sildenafil Impurity 22

    7. Schembl4565717

    8. Dtxsid70451969

    9. Bcp34322

    10. Zinc21992760

    11. Akos015963189

    12. Ac-20141

    13. Db-050324

    14. Ft-0617331

    15. A814208

    16. 1-methyl-3-propyl-4-[2-ethoxy-5-(4-methylpiperazinosulfonyl)phenylcarbonylamino]-1h-pyrazole-5-carboxamide

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 492.6 g/mol
    Molecular Formula C22H32N6O5S
    XLogP31.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count9
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area148
    Heavy Atom Count34
    Formal Charge0
    Complexity813
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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