Filgotinib
Properties
- Molecular formula
- C21H23N5O3S
- Molar mass
- 425.51 g/mol
- Exact mass
- 425.1522 Da
- logP
- 1.40Crippen estimate
- Polar surface area
- 99.9 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1206161-97-8SMILES
O=C(N=c1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2[nH]1)C1CC1InChIKey
RIJLVEAXPNLDTC-UHFFFAOYSA-NInChI
InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Cyclopropanecarboxamide, N-[5-[4-[(1,1-dioxido-4-thiomorpholinyl)methyl]phenyl][1,2,4]triazolo[1,5-a]pyridin-2-yl]-
- N-[5-[4-[(1,1-Dioxido-4-thiomorpholinyl)methyl]phenyl][1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
- G 146034
- GLPG 0634
- GLP0634
Work with Filgotinib
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
5-[4-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine1257705-09-149 % similar
4-Benzylthiomorpholine 1,1-dioxide26475-66-137 % similar
4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)thiomorpholine 1,1-dioxide1092563-25-131 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.