N4-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzene-1,4-dicarboxamide

Systemtic Name: N4-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzene-1,4-dicarboxamide Openeye Name: N4-[[1-ethyl-6-methyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]terephthalamide CAS Name: N4-[[1-ethyl-6-methyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]benzene-1,4-dicarboxamide IUPAC Name: 4-N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzene-1,4-dicarboxamide Traditional Name: N'-[[1-ethyl-6-methyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]terephthalamide Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)CNC(=O)C4=CC=C(C=C4)C(=O)N)C

Isomeric SMILES

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)CNC(=O)C4=CC=C(C=C4)C(=O)N)C

InChI

InChI=1S/C23H28N6O3/c1-3-29-22-19(13-26-29)20(28-17-8-10-32-11-9-17)18(14(2)27-22)12-25-23(31)16-6-4-15(5-7-16)21(24)30/h4-7,13,17H,3,8-12H2,1-2H3,(H2,24,30)(H,25,31)(H,27,28)