4-[(1-aminocarbonylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methyl-2-thiophen-3-yl-phenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 4-[(1-aminocarbonylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methyl-2-thiophen-3-yl-phenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-[(1-carbamoyl-4-piperidyl)amino]-1-ethyl-N-[[4-methyl-2-(3-thienyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 4-[(1-carbamoyl-4-piperidinyl)amino]-1-ethyl-N-[[4-methyl-2-(3-thiophenyl)phenyl]methyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methyl-2-thiophen-3-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-[(1-carbamoyl-4-piperidyl)amino]-1-ethyl-N-[4-methyl-2-(3-thienyl)benzyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C27H31N7O2S MolecularWeight: 517.64574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCN(CC3)C(=O)N)C(=O)NCC4=C(C=C(C=C4)C)C5=CSC=C5

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCN(CC3)C(=O)N)C(=O)NCC4=C(C=C(C=C4)C)C5=CSC=C5

InChI

InChI=1S/C27H31N7O2S/c1-3-34-25-22(15-31-34)24(32-20-6-9-33(10-7-20)27(28)36)23(14-29-25)26(35)30-13-18-5-4-17(2)12-21(18)19-8-11-37-16-19/h4-5,8,11-12,14-16,20H,3,6-7,9-10,13H2,1-2H3,(H2,28,36)(H,29,32)(H,30,35)