4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

Systemtic Name: 4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one Openeye Name: 4-[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one CAS Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one IUPAC Name: 4-[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one Traditional Name: 4-[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4)C(=O)NN2C

Isomeric SMILES

CC1=NC2=C(C(=C1)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4)C(=O)NN2C

InChI

InChI=1S/C21H21N5O2S/c1-12-10-14(17-18(22-12)25(2)24-19(17)27)21(28)26-9-5-6-13(11-26)20-23-15-7-3-4-8-16(15)29-20/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,24,27)