Molecule ID: 138911099

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

Description: The molecule is a pyrazolopyridazine that is pyrazolo[1,5-b]pyridazine which is substituted by a 2-anilinopyrimidin-4-yl group at position 3 and by an ethoxy group at position 6. It is a pyrazolopyridazine, an aromatic ether, an aminopyrimidine and a substituted aniline.

SMILES: CCOc1ccc2c(-c3ccnc(Nc4ccccc4)n3)cnn2n1

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

InChI: InChI=1S/C18H16N6O/c1-2-25-17-9-8-16-14(12-20-24(16)23-17)15-10-11-19-18(22-15)21-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,19,21,22)

Molecular Properties:
- Polar Surface Area: 77.2 Ų
- LogP: 3.1