Molecule ID: 24801862

IUPAC Name: N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine

Description: The molecule is an aminopyrimidine that is N-cyclohexyl-N-methylpyrimidin-2-amine in which the pyrimidine ring is substituted at position 4 by an imidazo[1,2-a]pyridin-3-yl group. It is an inhibitor of interleukin-1 receptor-associated kinase 4 (IRAK-4; EC 2.7.11.1). It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is an imidazopyridine and an aminopyrimidine.

SMILES: CN(c1nccc(-c2cnc3ccccn23)n1)C1CCCCC1

SELFIES: [C][N][Branch2][Ring1][Branch2][C][=N][C][=C][C][Branch1][=C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=N][Ring1][#C][C][C][C][C][C][C][Ring1][=Branch1]

InChI: InChI=1S/C18H21N5/c1-22(14-7-3-2-4-8-14)18-19-11-10-15(21-18)16-13-20-17-9-5-6-12-23(16)17/h5-6,9-14H,2-4,7-8H2,1H3

Molecular Properties:
- Polar Surface Area: 46.3 Ų
- LogP: 4.0