1-ethyl-4-(oxan-4-ylamino)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1-ethyl-4-(oxan-4-ylamino)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-ethyl-N-[(1S)-1-phenylethyl]-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1-ethyl-4-(4-oxanylamino)-N-[(1S)-1-phenylethyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-ethyl-4-(oxan-4-ylamino)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-ethyl-N-[(1S)-1-phenylethyl]-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2/c1-3-27-21-18(14-24-27)20(26-17-9-11-29-12-10-17)19(13-23-21)22(28)25-15(2)16-7-5-4-6-8-16/h4-8,13-15,17H,3,9-12H2,1-2H3,(H,23,26)(H,25,28)/t15-/m0/s1