4-[(4-aminocarbonylcyclohexyl)amino]-1-ethyl-N-[(3-phenylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 4-[(4-aminocarbonylcyclohexyl)amino]-1-ethyl-N-[(3-phenylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-[(4-carbamoylcyclohexyl)amino]-1-ethyl-N-[(3-phenylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 4-[(4-carbamoylcyclohexyl)amino]-1-ethyl-N-[(3-phenylphenyl)methyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 4-[(4-carbamoylcyclohexyl)amino]-1-ethyl-N-[(3-phenylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-[(4-carbamoylcyclohexyl)amino]-1-ethyl-N-(3-phenylbenzyl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C29H32N6O2 MolecularWeight: 496.60338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCC(CC3)C(=O)N)C(=O)NCC4=CC=CC(=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCC(CC3)C(=O)N)C(=O)NCC4=CC=CC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H32N6O2/c1-2-35-28-24(18-33-35)26(34-23-13-11-21(12-14-23)27(30)36)25(17-31-28)29(37)32-16-19-7-6-10-22(15-19)20-8-4-3-5-9-20/h3-10,15,17-18,21,23H,2,11-14,16H2,1H3,(H2,30,36)(H,31,34)(H,32,37)