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

Systemtic Name: N-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-ethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[(1R)-2-amino-2-keto-1-phenyl-ethyl]-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C(=O)NC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C(=O)N[C@H](C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H26N6O3/c1-2-28-21-16(13-25-28)19(26-15-8-10-31-11-9-15)17(12-24-21)22(30)27-18(20(23)29)14-6-4-3-5-7-14/h3-7,12-13,15,18H,2,8-11H2,1H3,(H2,23,29)(H,24,26)(H,27,30)/t18-/m1/s1