1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-prop-2-ynoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-prop-2-ynoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-prop-2-ynoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 1-(6-methoxy-3-pyridazinyl)-3-methyl-4-(3-prop-2-ynoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-prop-2-ynoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propargyloxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C21H19N5O3 MolecularWeight: 389.40726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3/c1-4-10-29-15-7-5-6-14(11-15)16-12-18(27)22-21-20(16)13(2)25-26(21)17-8-9-19(28-3)24-23-17/h1,5-9,11,16,25H,10,12H2,2-3H3