N2,N6-bis[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]naphthalene-2,6-dicarboxamide

Systemtic Name: N2,N6-bis[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]naphthalene-2,6-dicarboxamide Openeye Name: N2,N6-bis[[1-ethyl-6-methyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]naphthalene-2,6-dicarboxamide CAS Name: N2,N6-bis[[1-ethyl-6-methyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]naphthalene-2,6-dicarboxamide IUPAC Name: 2-N,6-N-bis[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]naphthalene-2,6-dicarboxamide Traditional Name: N,N'-bis[[1-ethyl-6-methyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]naphthalene-2,6-dicarboxamide Formula: C42H50N10O4 MolecularWeight: 758.911

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)CNC(=O)C4=CC5=C(C=C4)C=C(C=C5)C(=O)NCC6=C(N=C7C(=C6NC8CCOCC8)C=NN7CC)C)C

Isomeric SMILES

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)CNC(=O)C4=CC5=C(C=C4)C=C(C=C5)C(=O)NCC6=C(N=C7C(=C6NC8CCOCC8)C=NN7CC)C)C

InChI

InChI=1S/C42H50N10O4/c1-5-51-39-35(23-45-51)37(49-31-11-15-55-16-12-31)33(25(3)47-39)21-43-41(53)29-9-7-28-20-30(10-8-27(28)19-29)42(54)44-22-34-26(4)48-40-36(24-46-52(40)6-2)38(34)50-32-13-17-56-18-14-32/h7-10,19-20,23-24,31-32H,5-6,11-18,21-22H2,1-4H3,(H,43,53)(H,44,54)(H,47,49)(H,48,50)