1-ethyl-N-[(4-fluorophenyl)methyl]-4-(thiolan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1-ethyl-N-[(4-fluorophenyl)methyl]-4-(thiolan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-ethyl-N-[(4-fluorophenyl)methyl]-4-(tetrahydrothiophen-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1-ethyl-N-[(4-fluorophenyl)methyl]-4-(3-thiolanylamino)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-ethyl-N-[(4-fluorophenyl)methyl]-4-(thiolan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-ethyl-N-(4-fluorobenzyl)-4-(tetrahydrothiophen-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C20H22FN5OS MolecularWeight: 399.484983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCSC3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCSC3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN5OS/c1-2-26-19-16(11-24-26)18(25-15-7-8-28-12-15)17(10-22-19)20(27)23-9-13-3-5-14(21)6-4-13/h3-6,10-11,15H,2,7-9,12H2,1H3,(H,22,25)(H,23,27)