Ibrutinib Impurity 7

cas: 936563-92-7 — see every product listed under this CAS number, including other names

Ibrutinib Impurity 7 (CAS 936563-92-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-I182007
cas936563-92-7
sizeon request
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Structural formula: {0} (CAS {1})

1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one (CAS 936563-92-7) is a chemical compound with the molecular formula C25H24N6O2 and a molecular weight of 440.5 g/mol. IUPAC name: 1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one. InChIKey: KALPRSFUZYGTNU-UHFFFAOYSA-N.

Identity
Molecular formulaC25H24N6O2
Molecular weight440.5 g/mol
IUPAC name1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
InChIKeyKALPRSFUZYGTNU-UHFFFAOYSA-N
SMILESC=CC(=O)N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Computed by PubChem (NCBI)

Synonyms: Ibrutinib Impurity 7, KALPRSFUZYGTNU-UHFFFAOYSA-N, orb3181302
Isomers (same molecular formula)
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O2
1-[(3S)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O2
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-[(2-cyanophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile C25H24N6O2
1-[(3R)-3-[4-amino-3-[4-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O2

Also listed as

1-(4-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-piperidinyl)-2-propen-1-one TRC CAS 936563-92-7
Ibrutinib impurity 11, 99.89% MedChemExpress CAS 936563-92-7
1-(4-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (Ibrutinib Impurity), 98% Fluorochem CAS 936563-92-7