(1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)methanone CAS Name: (1-butyl-6-cyclopropyl-3-methyl-4-pyrazolo[3,4-b]pyridinyl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(1-butyl-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-4-yl)methanone Traditional Name: (4-benzylpiperazino)-(1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)methanone Formula: C26H33N5O MolecularWeight: 431.57312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=N1)C)C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCN1C2=C(C(=N1)C)C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H33N5O/c1-3-4-12-31-25-24(19(2)28-31)22(17-23(27-25)21-10-11-21)26(32)30-15-13-29(14-16-30)18-20-8-6-5-7-9-20/h5-9,17,21H,3-4,10-16,18H2,1-2H3