Identidade

Tofacitinib Impurity

Não indicado · C16H22N6O

01Identidade

Lazychem ID	LC-38611
CAS RN	Não indicado
PubChem CID	70993296
Molecular formula	C16H22N6O
Molecular weight	314.39 g/mol
IUPAC name	3-[3-[6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
InChIKey	PEURVXMHTIUQCG-UHFFFAOYSA-N

02Estrutura e estereoquímica

Two-dimensional chemical structure of Tofacitinib Impurity — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	3
Secondary amines	1
Tertiary amines	1

SMILES	CC1CCN(CC1N(C)C2=NC=NC3=C2CCN3)C(=O)CC#N
InChI	Não indicado

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres2Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.