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

Systemtic Name: ethyl 4-(1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CS4

InChI

InChI=1S/C21H25N5O3S/c1-4-29-21(28)25-9-7-24(8-10-25)20(27)15-12-17(18-6-5-11-30-18)23-19-16(15)13-22-26(19)14(2)3/h5-6,11-14H,4,7-10H2,1-3H3