Molecule ID: 91885989

IUPAC Name: N-[4-[2-(2,4-difluoroanilino)-1,4-dimethylbenzimidazol-5-yl]oxypyridin-2-yl]acetamide

Description: The molecule is a memger of the class of benzimidazoles that is benzimidazole that is substituted by methyl groups at positions 1 and 4, by a 2,4-difluoroanilino group at position 2, and by a (2-acetamidopyridin-4-yl)oxy group at position 5. It is a type II JAK2 inhibitor with antineoplastic activity. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor and an antineoplastic agent. It is a member of benzimidazoles, a member of acetamides, a member of pyridines, a difluorobenzene, an aromatic ether, a secondary amino compound and an aromatic amine.

SMILES: CC(O)=Nc1cc(Oc2ccc3c([nH]c(=Nc4ccc(F)cc4F)n3C)c2C)ccn1

SELFIES: [C][C][Branch1][C][O][=N][C][=C][C][Branch2][Ring2][Ring2][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][NH1][C][=Branch1][=C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][Ring1][=C][C][=C][Ring2][Ring1][Ring1][C][=C][C][=N][Ring2][Ring1][O]

InChI: InChI=1S/C22H19F2N5O2/c1-12-19(31-15-8-9-25-20(11-15)26-13(2)30)7-6-18-21(12)28-22(29(18)3)27-17-5-4-14(23)10-16(17)24/h4-11H,1-3H3,(H,27,28)(H,25,26,30)

Molecular Properties:
- Polar Surface Area: 81.1 Ų
- LogP: 3.8