(R,E)-2-(3-(4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4,4-dimethylpent-2-enenitrile, 98%, 98%

cas: 1581714-49-9 — see every product listed under this CAS number, including other names

(R,E)-2-(3-(4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4,4-dimethylpent-2-enenitrile, 98%, 98% (CAS 1581714-49-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg. Offered by: Chemat.

• 2D
• 3D

(E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile (CAS 1581714-49-9) is a chemical compound with the molecular formula C30H30FN7O2 and a molecular weight of 539.6 g/mol. IUPAC name: (E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile. InChIKey: KZMQPYCXSAGLTB-ZWUNQBBJSA-N.

Identity

Molecular formula	C30H30FN7O2
Molecular weight	539.6 g/mol
IUPAC name	(E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile
InChIKey	KZMQPYCXSAGLTB-ZWUNQBBJSA-N
SMILES	CC(C)(C)/C=C(\C#N)/C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N

Computed by PubChem (NCBI)

Synonyms: atuzabrutinib, Atuzabrutinib [INN], Atuzabrutinib (USAN/INN), ATUZABRUTINIB [USAN], orb1691598, orb2900946, compound 11 [PMID: 35302767]

Related forms of this compound

(Z)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile C₃₀H₃₀FN₇O₂