tert-butyl 4-(1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-(1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H29N5O3S/c1-15(2)28-20-17(14-24-28)16(13-18(25-20)19-7-6-12-32-19)21(29)26-8-10-27(11-9-26)22(30)31-23(3,4)5/h6-7,12-15H,8-11H2,1-5H3