Molecule ID: 91810392

IUPAC Name: N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

Description: The molecule is an aromatic amide obtained by formal condensation of the carboxy group of 2,4-dimethyl-1,3-oxazole-5-carboxylic acid with the aromatic amino group of 4-fluoro-3-[6-(pyridin-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]aniline. A proteasome inhibitor known to be active against the three parasites that cause Chagas disease, leishmaniasis and sleeping sickness. It has a role as a proteasome inhibitor and an antileishmanial agent. It is a member of triazolopyrimidines, a member of pyridines, a member of monofluorobenzenes, a member of 1,3-oxazoles, a ring assembly and an aromatic amide.

SMILES: Cc1nc(C)c(C(O)=Nc2ccc(F)c(-c3nc4ncc(-c5ccccn5)cn4n3)c2)o1

SELFIES: [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][N][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch2][C][N][=C][N][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][N][Ring1][N][N][=Ring1][#C][=C][Ring2][Ring1][=Branch1][O][Ring2][Ring1][#C]

InChI: InChI=1S/C22H16FN7O2/c1-12-19(32-13(2)26-12)21(31)27-15-6-7-17(23)16(9-15)20-28-22-25-10-14(11-30(22)29-20)18-5-3-4-8-24-18/h3-11H,1-2H3,(H,27,31)

Molecular Properties:
- Polar Surface Area: 111.0 Ų
- LogP: 2.8