(3S,4S)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile, ≥96%

cas: 1092578-47-6 — see every product listed under this CAS number, including other names

(3S,4S)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile, ≥96% (CAS 1092578-47-6) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 50mg. Offered by: Chemat.

• 2D
• 3D

3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile (CAS 1092578-47-6) is a chemical compound with the molecular formula C16H20N6O and a molecular weight of 312.37 g/mol. IUPAC name: 3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile. InChIKey: UJLAWZDWDVHWOW-WCQYABFASA-N.

Identity

Molecular formula	C16H20N6O
Molecular weight	312.37 g/mol
IUPAC name	3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
InChIKey	UJLAWZDWDVHWOW-WCQYABFASA-N
SMILES	C[C@H]1CCN(C[C@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N

Computed by PubChem (NCBI)

Synonyms: (3S,4S)-Tofacitinib, (-)-Tofacitinib, Tofacitinib, (3S,4S)-, racemic-Tasocitinib, Tofacitinib Impurity Q, orb1708149

Related forms of this compound

3-[(3S,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C₁₆H₂₀N₆O

3-[(3R,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C₁₆H₂₀N₆O

3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C₁₆H₂₀N₆O

3-[(3R,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C₁₆H₂₀N₆O

3-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C₁₆H₂₀N₆O

3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C₁₆H₂₀N₆O

Isomers (same molecular formula)

2-cyano-N-methyl-N-[(3R,4R)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide C₁₆H₂₀N₆O

3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C₁₆H₂₀N₆O