N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-(1,2-diphenylethyl)-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-(1,2-diphenylethyl)-1-ethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-(1,2-diphenylethyl)-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N5O2/c1-2-33-27-23(19-30-33)26(31-22-13-15-35-16-14-22)24(18-29-27)28(34)32-25(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20/h3-12,18-19,22,25H,2,13-17H2,1H3,(H,29,31)(H,32,34)