N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[3-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenyl]benzamide

Systemtic Name: N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[3-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenyl]benzamide Openeye Name: N-[[1-ethyl-6-methyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[3-[[1-ethyl-6-methyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenyl]benzamide CAS Name: N-[[1-ethyl-6-methyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]-3-[3-[[[1-ethyl-6-methyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methylamino]-oxomethyl]phenyl]benzamide IUPAC Name: N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[3-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenyl]benzamide Traditional Name: N-[[1-ethyl-6-methyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[3-[[1-ethyl-6-methyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenyl]benzamide Formula: C44H52N10O4 MolecularWeight: 784.94828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)CNC(=O)C4=CC=CC(=C4)C5=CC(=CC=C5)C(=O)NCC6=C(N=C7C(=C6NC8CCOCC8)C=NN7CC)C)C

Isomeric SMILES

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)CNC(=O)C4=CC=CC(=C4)C5=CC(=CC=C5)C(=O)NCC6=C(N=C7C(=C6NC8CCOCC8)C=NN7CC)C)C

InChI

InChI=1S/C44H52N10O4/c1-5-53-41-37(25-47-53)39(51-33-13-17-57-18-14-33)35(27(3)49-41)23-45-43(55)31-11-7-9-29(21-31)30-10-8-12-32(22-30)44(56)46-24-36-28(4)50-42-38(26-48-54(42)6-2)40(36)52-34-15-19-58-20-16-34/h7-12,21-22,25-26,33-34H,5-6,13-20,23-24H2,1-4H3,(H,45,55)(H,46,56)(H,49,51)(H,50,52)