3-azanyl-4-cyclopropyl-6-[4-[(2-oxidanyl-2-pyridin-2-yl-ethyl)amino]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-4-cyclopropyl-6-[4-[(2-oxidanyl-2-pyridin-2-yl-ethyl)amino]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-4-cyclopropyl-6-[4-[[2-hydroxy-2-(2-pyridyl)ethyl]amino]-1-piperidyl]thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-4-cyclopropyl-6-[4-[[2-hydroxy-2-(2-pyridinyl)ethyl]amino]-1-piperidinyl]-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-4-cyclopropyl-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-cyclopropyl-6-[4-[[2-hydroxy-2-(2-pyridyl)ethyl]amino]piperidino]thieno[2,3-b]pyridine-2-carboxylic acid Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NC3=C2C(=C(S3)C(=O)O)N)N4CCC(CC4)NCC(C5=CC=CC=N5)O

Isomeric SMILES

C1CC1C2=CC(=NC3=C2C(=C(S3)C(=O)O)N)N4CCC(CC4)NCC(C5=CC=CC=N5)O

InChI

InChI=1S/C23H27N5O3S/c24-20-19-15(13-4-5-13)11-18(27-22(19)32-21(20)23(30)31)28-9-6-14(7-10-28)26-12-17(29)16-3-1-2-8-25-16/h1-3,8,11,13-14,17,26,29H,4-7,9-10,12,24H2,(H,30,31)