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

Systemtic Name: 4-(cyclohexylamino)-1-ethyl-N-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-benzyl-4-(cyclohexylamino)-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 4-(cyclohexylamino)-1-ethyl-N-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-benzyl-4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-benzyl-4-(cyclohexylamino)-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O/c1-2-27-21-18(15-25-27)20(26-17-11-7-4-8-12-17)19(14-23-21)22(28)24-13-16-9-5-3-6-10-16/h3,5-6,9-10,14-15,17H,2,4,7-8,11-13H2,1H3,(H,23,26)(H,24,28)