Molecule ID: 137333890

IUPAC Name: 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine

Description: The molecule is a pyrazolopyridazine that is pyrazolo[1,5-b]pyridazine which is substituted by a 2-(3-methoxyanilino)pyrimidin-4-yl group at position 3 and by an ethoxy group at position 6. It is a CLK4 kinase inhibitor. It has a role as an EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor. It is a pyrazolopyridazine, an aromatic ether, a substituted aniline, a secondary amino compound and a member of pyrimidines.

SMILES: CCOc1ccc2c(-c3ccnc(Nc4cccc(OC)c4)n3)cnn2n1

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

InChI: InChI=1S/C19H18N6O2/c1-3-27-18-8-7-17-15(12-21-25(17)24-18)16-9-10-20-19(23-16)22-13-5-4-6-14(11-13)26-2/h4-12H,3H2,1-2H3,(H,20,22,23)

Molecular Properties:
- Polar Surface Area: 86.5 Ų
- LogP: 3.1