methyl 6-[(1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[(1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]hexanoate CAS Name: 6-[[(1,3-dimethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]hexanoate Traditional Name: 6-[(1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]hexanoic acid methyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NCCCCCC(=O)OC)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NCCCCCC(=O)OC)C

InChI

InChI=1S/C22H26N4O3/c1-15-20-17(22(28)23-13-9-5-8-12-19(27)29-3)14-18(16-10-6-4-7-11-16)24-21(20)26(2)25-15/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3,(H,23,28)