3-tert-butyl-1-(4-chlorophenyl)-5-[(cyclopentylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(cyclopentylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(cyclopentylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(cyclopentylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(cyclopentylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 3-tert-butyl-1-(4-chlorophenyl)-5-[(cyclopentylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C22H27ClN4O MolecularWeight: 398.92898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=C(C=C3)Cl)CNC4CCCC4

Isomeric SMILES

CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=C(C=C3)Cl)CNC4CCCC4

InChI

InChI=1S/C22H27ClN4O/c1-22(2,3)19-18-12-14(13-24-16-6-4-5-7-16)21(28)25-20(18)27(26-19)17-10-8-15(23)9-11-17/h8-12,16,24,26H,4-7,13H2,1-3H3