Filgotinib

C₂₁H₂₃N₅O₃SCAS 1206101-20-3425.51 g/mol

Open in Covalent MOL file

Amide Sulfone Tertiary amine

Properties

Molecular formula: C₂₁H₂₃N₅O₃S
Molar mass: 425.51 g/mol
Exact mass: 425.1522 Da
logP: 1.98Crippen estimate
Polar surface area: 96.7 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 5

Identifiers

CAS number

1206101-20-3

SMILES

C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3C4=CC=C(C=C4)CN5CCS(=O)(=O)CC5

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Glpg0634

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-amine1257705-09-162 % similar N-(5-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide1142943-96-151 % 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

Filgotinib1206161-97-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook