chempirical

Filgotinib

C21H23N5O3SCAS 1206161-97-8425.51 g/mol

Open in Covalent MOL file
ONNNSOONHN
SulfoneTertiary amine

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

Identifiers

CAS number
1206161-97-8
SMILES
O=C(N=c1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2[nH]1)C1CC1
InChIKey
RIJLVEAXPNLDTC-UHFFFAOYSA-N
InChI
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)

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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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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-[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. All similar compounds

Same formula

Filgotinib1206101-20-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook