(R)-8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one (Ibrutinib Impurity), 98%, 98%

cas: 1917333-91-5 — see every product listed under this CAS number, including other names

(R)-8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one (Ibrutinib Impurity), 98%, 98% (CAS 1917333-91-5) is a chemical reagent available from Chemat. Available pack sizes: 50mg. Offered by: Chemat.

• 2D
• 3D

3-(4-phenoxyphenyl)-5-[(3R)-1-prop-2-enoylpiperidin-3-yl]-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one (CAS 1917333-91-5) is a chemical compound with the molecular formula C28H26N6O3 and a molecular weight of 494.5 g/mol. IUPAC name: 3-(4-phenoxyphenyl)-5-[(3R)-1-prop-2-enoylpiperidin-3-yl]-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one. InChIKey: FSCNEJORXHNHBP-HXUWFJFHSA-N.

Identity

Molecular formula	C28H26N6O3
Molecular weight	494.5 g/mol
IUPAC name	3-(4-phenoxyphenyl)-5-[(3R)-1-prop-2-enoylpiperidin-3-yl]-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one
InChIKey	FSCNEJORXHNHBP-HXUWFJFHSA-N
SMILES	C=CC(=O)N1CCC[C@H](C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C6=NC(=O)CCN6C=N3

Computed by PubChem (NCBI)

Synonyms: Ibrutinib Impurity 10, N1,N6 [ 1,3-(1-Oxopropylene)] Ibrutinib, orb3181394

Isomers (same molecular formula)

N-[3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-yl]prop-2-enamide C₂₈H₂₆N₆O₃

3-imidazo[1,2-a]pyridin-3-yl-4-[10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione C₂₈H₂₆N₆O₃