3-{(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl}-1-{(3R)-3-[4-imino-3-(4-phenoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl}-1-propanone | CAS No. 1987905-93-0

3-{(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl}-1-{(3R)-3-[4-imino-3-(4-phenoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl}-1-propanone

Basic Information

CAS Number

1987905-93-0

Molecular Formula

C47H46N12O3

Molecular Weight

826.95 g/mol

AD

Basic Physical Properties

Nc1ncnc2n(nc(c3ccc(Oc4ccccc4)cc3)c12)[C@@H]5CCCN(CCC(=O)N6CCC[C@H](C6)n7[nH]c(c8ccc(Oc9ccccc9)cc8)c%10c(=N)ncnc7%10)C5

InChI

InChI=1S/C47H46N12O3/c48-44-40-42(31-15-19-37(20-16-31)61-35-11-3-1-4-12-35)54-58(46(40)52-29-50-44)33-9-7-24-56(27-33)26-23-39(60)57-25-8-10-34(28-57)59-47-41(45(49)51-30-53-47)43(55-59)32-17-21-38(22-18-32)62-36-13-5-2-6-14-36/h1-6,11-22,29-30,33-34,49,55H,7-10,23-28H2,(H2,48,50,52)/t33-,34-/m1/s1

InChIKey

ZBXCZRITQIJOPM-KKLWWLSJSA-N

Complexity

1420

Synonyms & References

English

  • Ibrutinib impurity 6
  • ZPJ4HT8UNA
  • 1,3-bis((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-piperidin-1-yl)propan-1-one
  • 1-Propanone, 1,3-bis((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-piperidinyl)-
  • 1,3-bis((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one

MDL Number

MFCD32640318

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