(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2-methylprop-2-en-1-one (Ibrutinib Impurity), 98%

cas: 2797253-43-9 — see every product listed under this CAS number, including other names

(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2-methylprop-2-en-1-one (Ibrutinib Impurity), 98% (CAS 2797253-43-9) is a chemical reagent available from Chemat. Available pack sizes: 50mg. Offered by: Chemat.

• 2D
• 3D

1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-methylprop-2-en-1-one (CAS 2797253-43-9) is a chemical compound with the molecular formula C26H26N6O2 and a molecular weight of 454.5 g/mol. IUPAC name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-methylprop-2-en-1-one. InChIKey: SVIZVWRMNNDHOC-LJQANCHMSA-N.

Identity

Molecular formula	C26H26N6O2
Molecular weight	454.5 g/mol
IUPAC name	1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-methylprop-2-en-1-one
InChIKey	SVIZVWRMNNDHOC-LJQANCHMSA-N
SMILES	CC(=C)C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Computed by PubChem (NCBI)

Isomers (same molecular formula)

2-[[[(3R)-1-[3-[(2-cyanophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]amino]methyl]benzonitrile C₂₆H₂₆N₆O₂

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide C₂₆H₂₆N₆O₂

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide C₂₆H₂₆N₆O₂

2-(3-cyanophenyl)-3-(2,6-dimethyl-4-pyridinyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide C₂₆H₂₆N₆O₂

1-[(3R)-3-[4-amino-3-(2-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C₂₆H₂₆N₆O₂