Products 2554619-82-6

CAS 2554619-82-6 appears in our catalog under these names: Ibrutinib Impurity 114, Ibrutinib Impurity 47. Offered by: Chemat Brand. Available pack sizes: on request.

Ibrutinib Impurity 114
Chemat Brand
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  • Variants: 1
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Ibrutinib Impurity 47
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one (CAS 2554619-82-6) is a chemical compound with the molecular formula C25H26N6O3 and a molecular weight of 458.5 g/mol. IUPAC name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one. InChIKey: CPWCTDZCUUTFJK-UHFFFAOYSA-N.

Identity
Molecular formulaC25H26N6O3
Molecular weight458.5 g/mol
IUPAC name1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one
InChIKeyCPWCTDZCUUTFJK-UHFFFAOYSA-N
SMILESC1CC(CN(C1)C(=O)CCO)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Computed by PubChem (NCBI)

Isomers (same molecular formula)
2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile C25H26N6O3
N-[(2R)-2-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-hydroxypentyl]prop-2-enamide C25H26N6O3
2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]acetic acid C25H26N6O3