4-acetamido-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-methoxy-benzamide

Systemtic Name: 4-acetamido-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-methoxy-benzamide Openeye Name: 4-acetamido-N-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-methoxy-benzamide CAS Name: 4-acetamido-N-[[1,6-diethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]-2-methoxybenzamide IUPAC Name: 4-acetamido-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-methoxybenzamide Traditional Name: 4-acetamido-N-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-methoxy-benzamide Formula: C26H34N6O4 MolecularWeight: 494.58596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)C4=C(C=C(C=C4)NC(=O)C)OC

Isomeric SMILES

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)C4=C(C=C(C=C4)NC(=O)C)OC

InChI

InChI=1S/C26H34N6O4/c1-5-22-20(14-27-26(34)19-8-7-18(29-16(3)33)13-23(19)35-4)24(30-17-9-11-36-12-10-17)21-15-28-32(6-2)25(21)31-22/h7-8,13,15,17H,5-6,9-12,14H2,1-4H3,(H,27,34)(H,29,33)(H,30,31)