N-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-4-(cyclohexylamino)-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-4-(cyclohexylamino)-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-4-(cyclohexylamino)-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(cyclohexylamino)-1-ethyl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[(1R)-2-amino-2-keto-1-phenyl-ethyl]-4-(cyclohexylamino)-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCCCC3)C(=O)N[C@H](C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C23H28N6O2/c1-2-29-22-17(14-26-29)20(27-16-11-7-4-8-12-16)18(13-25-22)23(31)28-19(21(24)30)15-9-5-3-6-10-15/h3,5-6,9-10,13-14,16,19H,2,4,7-8,11-12H2,1H3,(H2,24,30)(H,25,27)(H,28,31)/t19-/m1/s1