4-(4-methoxy-3-prop-2-ynoxy-phenyl)-3-methyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 4-(4-methoxy-3-prop-2-ynoxy-phenyl)-3-methyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 4-(4-methoxy-3-prop-2-ynoxy-phenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 4-(4-methoxy-3-prop-2-ynoxyphenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 4-(4-methoxy-3-prop-2-ynoxyphenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 1-(6-keto-1H-pyridazin-3-yl)-4-(4-methoxy-3-propargyloxy-phenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C21H19N5O4 MolecularWeight: 405.40666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CC(=O)N=C2N(N1)C3=NNC(=O)C=C3)C4=CC(=C(C=C4)OC)OCC#C

Isomeric SMILES

CC1=C2C(CC(=O)N=C2N(N1)C3=NNC(=O)C=C3)C4=CC(=C(C=C4)OC)OCC#C

InChI

InChI=1S/C21H19N5O4/c1-4-9-30-16-10-13(5-6-15(16)29-3)14-11-19(28)22-21-20(14)12(2)25-26(21)17-7-8-18(27)24-23-17/h1,5-8,10,14,25H,9,11H2,2-3H3,(H,24,27)