4-(cyclohexylamino)-1-methyl-N-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 4-(cyclohexylamino)-1-methyl-N-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-benzyl-4-(cyclohexylamino)-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 4-(cyclohexylamino)-1-methyl-N-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-benzyl-4-(cyclohexylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-benzyl-4-(cyclohexylamino)-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H25N5O MolecularWeight: 363.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC=C(C(=C2C=N1)NC3CCCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN1C2=NC=C(C(=C2C=N1)NC3CCCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O/c1-26-20-17(14-24-26)19(25-16-10-6-3-7-11-16)18(13-22-20)21(27)23-12-15-8-4-2-5-9-15/h2,4-5,8-9,13-14,16H,3,6-7,10-12H2,1H3,(H,22,25)(H,23,27)