Drug · JAK inhibitor · JAK inhibitor · Sourced compound
Upadacitinib structure · mechanism
PubChem CID 58557659. Molecular formula C17H19F3N6O. Independently assigned structure; reviewed 2026-10-08. Family grouping is editorial and does not establish shared activity.
Upadacitinib 2D structure
- Role
- Drug
- Mechanism class
- JAK inhibitor
- InChIKey
WYQFJHHDOKWSHR-MNOVXSKESA-N
- Structure checked
- 2026-10-08
- Molecular formula
- C17H19F3N6O
- Structure source
- PubChem
- PubChem CID
- 58557659
- InChI Key
- WYQFJHHDOKWSHR-MNOVXSKESA-N
SMILES
CC[C@@H]1CN(C[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)FTags
Related compounds
External IDs · BioMoa
StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.
Editorial responsibility and corrections
Operated and edited by the independent StructureMoa project. Explanations use AI assistance; structural identity and similarity are checked against source records and calculation tests. Molecular data and clinical or regulatory evidence have separate review scopes.
- Source structures
- PubChem · CID / SMILES / InChIKey
- Calculations and automated checks
- RDKit · Morgan / SMARTS
- Disclosed specialist review
- No separate external specialist review is disclosed. Passing automated tests is not specialist review of clinical claims.
For a correction, include the page URL, molecule name or CID, the field in question and a supporting source. Corrections are checked against sources, and the affected editorial update date is changed when a correction is published. [email protected]