N1,N4-bis[[4-[(1-aminocarbonylpiperidin-4-yl)amino]-1,6-diethyl-pyrazolo[3,4-b]pyridin-5-yl]methyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[[4-[(1-aminocarbonylpiperidin-4-yl)amino]-1,6-diethyl-pyrazolo[3,4-b]pyridin-5-yl]methyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[[4-[(1-carbamoyl-4-piperidyl)amino]-1,6-diethyl-pyrazolo[3,4-b]pyridin-5-yl]methyl]terephthalamide CAS Name: N1,N4-bis[[4-[(1-carbamoyl-4-piperidinyl)amino]-1,6-diethyl-5-pyrazolo[3,4-b]pyridinyl]methyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[[4-[(1-carbamoyl-4-piperidyl)amino]-1,6-diethyl-pyrazolo[3,4-b]pyridin-5-yl]methyl]terephthalamide Formula: C42H56N14O4 MolecularWeight: 820.98544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCN(CC3)C(=O)N)CNC(=O)C4=CC=C(C=C4)C(=O)NCC5=C(N=C6C(=C5NC7CCN(CC7)C(=O)N)C=NN6CC)CC

Isomeric SMILES

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCN(CC3)C(=O)N)CNC(=O)C4=CC=C(C=C4)C(=O)NCC5=C(N=C6C(=C5NC7CCN(CC7)C(=O)N)C=NN6CC)CC

InChI

InChI=1S/C42H56N14O4/c1-5-33-29(35(31-23-47-55(7-3)37(31)51-33)49-27-13-17-53(18-14-27)41(43)59)21-45-39(57)25-9-11-26(12-10-25)40(58)46-22-30-34(6-2)52-38-32(24-48-56(38)8-4)36(30)50-28-15-19-54(20-16-28)42(44)60/h9-12,23-24,27-28H,5-8,13-22H2,1-4H3,(H2,43,59)(H2,44,60)(H,45,57)(H,46,58)(H,49,51)(H,50,52)