Molecule ID: 138911100

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

Description: The molecule is a pyrazolopyridazine that is pyrazolo[1,5-b]pyridazine substituted by a 2-[3-(morpholin-4-yl)anilino]pyrimidin-4-yl group at position 3 and an ethoxy group at position 6. It is an aminopyrimidine, a member of morpholines, a secondary amino compound, a tertiary amino compound, a pyrazolopyridazine and an aromatic ether.

SMILES: CCOc1ccc2c(-c3ccnc(Nc4cccc(N5CCOCC5)c4)n3)cnn2n1

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

InChI: InChI=1S/C22H23N7O2/c1-2-31-21-7-6-20-18(15-24-29(20)27-21)19-8-9-23-22(26-19)25-16-4-3-5-17(14-16)28-10-12-30-13-11-28/h3-9,14-15H,2,10-13H2,1H3,(H,23,25,26)

Molecular Properties:
- Polar Surface Area: 89.7 Ų
- LogP: 2.9