N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-benzyl-N-(4-tert-butylthiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-(4-tert-butyl-2-thiazolyl)-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-benzyl-N-(4-tert-butylthiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-21(2,3)17-13-28-20(24-17)25-19(27)16-9-15-11-23-26(18(15)22-10-16)12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,24,25,27)