upadacitinib (Rinvoq) Report issue

Small molecule Approved FDA Priority Review FDA
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

380.37

ALogP

2.91

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12
  • InChIKey: WYQFJHHDOKWSHR-MNOVXSKESA-N
    InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3622821   ChEMBL
upadacitinib *

CHEMBL3707269   ChEMBL
upadacitinib tartrate

4RA0KN46E0   NCATS
upadacitinib *

Upadacitinib   Wikipedia

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