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

Systemtic Name: 4-[(4-aminocarbonylcyclohexyl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-[(4-carbamoylcyclohexyl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 4-[(4-carbamoylcyclohexyl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 4-[(4-carbamoylcyclohexyl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-[(4-carbamoylcyclohexyl)amino]-1-ethyl-N-(4-mesylbenzyl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C24H30N6O4S MolecularWeight: 498.5978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O4S/c1-3-30-23-19(14-28-30)21(29-17-8-6-16(7-9-17)22(25)31)20(13-26-23)24(32)27-12-15-4-10-18(11-5-15)35(2,33)34/h4-5,10-11,13-14,16-17H,3,6-9,12H2,1-2H3,(H2,25,31)(H,26,29)(H,27,32)