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%

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

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% (CAS 936563-92-7) is a chemical reagent available from Chemat. Available pack sizes: 50mg. Offered by: Fluorochem.

• 2D
• 3D

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 formula	C25H24N6O2
Molecular weight	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
SMILES	C=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

1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C₂₅H₂₄N₆O₂

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide C₂₅H₂₄N₆O₂