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

cas: 1839099-22-7 — 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)propan-1-one (Ibrutinib Impurity), 98% (CAS 1839099-22-7) is a chemical reagent available from Chemat. Available pack sizes: 50mg. Offered by: Fluorochem.

• 2D
• 3D

1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one (CAS 1839099-22-7) is a chemical compound with the molecular formula C25H26N6O2 and a molecular weight of 442.5 g/mol. IUPAC name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one. InChIKey: ROGRQCNRPWIQJN-GOSISDBHSA-N.

Identity

Molecular formula	C25H26N6O2
Molecular weight	442.5 g/mol
IUPAC name	1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
InChIKey	ROGRQCNRPWIQJN-GOSISDBHSA-N
SMILES	CCC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Computed by PubChem (NCBI)

Synonyms: Ibrutinib Impurity 11, (R)-N-Desacryloyl N-Propionyl Ibrutinib, Ibrutinib-Rev, Ibrutinib iMpurity BX, Ibrutinib (bound form)

Isomers (same molecular formula)

N-[2-(dimethylamino)-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide C₂₅H₂₆N₆O₂

(E)-2-cyano-3-[5-(3-cyclohexyl-10-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-N,N-dimethylprop-2-enamide C₂₅H₂₆N₆O₂

N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide C₂₅H₂₆N₆O₂

(3aR,6aR)-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide C₂₅H₂₆N₆O₂

1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-(6-methyl-5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one C₂₅H₂₆N₆O₂

(2R)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-methyl-2-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine C₂₅H₂₆N₆O₂

1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-N-methoxy-2-methylindole-4-carboxamide C₂₅H₂₆N₆O₂