Cas no 946203-53-8 (2-(4-{4-(4-methylphenyl)amino-1-phenyl-1H-pyrazolo3,4-dpyrimidin-6-yl}piperazin-1-yl)ethan-1-ol)

2-(4-{4-(4-methylphenyl)amino-1-phenyl-1H-pyrazolo3,4-dpyrimidin-6-yl}piperazin-1-yl)ethan-1-ol structure
946203-53-8 structure
Product Name:2-(4-{4-(4-methylphenyl)amino-1-phenyl-1H-pyrazolo3,4-dpyrimidin-6-yl}piperazin-1-yl)ethan-1-ol
CAS No:946203-53-8
MF:C24H27N7O
MW:429.517483949661
CID:5889582
PubChem ID:17016829
Update Time:2023-11-22

2-(4-{4-(4-methylphenyl)amino-1-phenyl-1H-pyrazolo3,4-dpyrimidin-6-yl}piperazin-1-yl)ethan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 2-[4-[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol
    • 2-(4-(1-phenyl-4-(p-tolylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl)ethanol
    • NCGC00287022-01
    • F2090-0032
    • AKOS002332801
    • 2-(4-{4-[(4-methylphenyl)amino]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}piperazin-1-yl)ethan-1-ol
    • AB01286000-01
    • 946203-53-8
    • AB01286000-03
    • 2-(4-{4-(4-methylphenyl)amino-1-phenyl-1H-pyrazolo3,4-dpyrimidin-6-yl}piperazin-1-yl)ethan-1-ol
    • Inchi: 1S/C24H27N7O/c1-18-7-9-19(10-8-18)26-22-21-17-25-31(20-5-3-2-4-6-20)23(21)28-24(27-22)30-13-11-29(12-14-30)15-16-32/h2-10,17,32H,11-16H2,1H3,(H,26,27,28)
    • InChI Key: NXKJJRBRFQYBTJ-UHFFFAOYSA-N
    • SMILES: C(O)CN1CCN(C2=NC(NC3=CC=C(C)C=C3)=C3C=NN(C4=CC=CC=C4)C3=N2)CC1

Computed Properties

  • Exact Mass: 429.22770851g/mol
  • Monoisotopic Mass: 429.22770851g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 6
  • Complexity: 573
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 82.3?2

2-(4-{4-(4-methylphenyl)amino-1-phenyl-1H-pyrazolo3,4-dpyrimidin-6-yl}piperazin-1-yl)ethan-1-ol Pricemore >>

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2-(4-{4-(4-methylphenyl)amino-1-phenyl-1H-pyrazolo3,4-dpyrimidin-6-yl}piperazin-1-yl)ethan-1-ol Related Literature

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