N-[1-(4-chlorophenyl)propyl]-6-cyclobutyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[1-(4-chlorophenyl)propyl]-6-cyclobutyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[1-(4-chlorophenyl)propyl]-6-cyclobutyl-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[1-(4-chlorophenyl)propyl]-6-cyclobutyl-1-ethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[1-(4-chlorophenyl)propyl]-6-cyclobutyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[1-(4-chlorophenyl)propyl]-6-cyclobutyl-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C27H34ClN5O2 MolecularWeight: 496.04416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Cl)NC(=O)C2=C(N=C3C(=C2NC4CCOCC4)C=NN3CC)C5CCC5

Isomeric SMILES

CCC(C1=CC=C(C=C1)Cl)NC(=O)C2=C(N=C3C(=C2NC4CCOCC4)C=NN3CC)C5CCC5

InChI

InChI=1S/C27H34ClN5O2/c1-3-22(17-8-10-19(28)11-9-17)31-27(34)23-24(18-6-5-7-18)32-26-21(16-29-33(26)4-2)25(23)30-20-12-14-35-15-13-20/h8-11,16,18,20,22H,3-7,12-15H2,1-2H3,(H,30,32)(H,31,34)