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

Systemtic Name: 1-ethyl-N-[1-(4-iodophenyl)ethyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-ethyl-N-[1-(4-iodophenyl)ethyl]-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1-ethyl-N-[1-(4-iodophenyl)ethyl]-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-ethyl-N-[1-(4-iodophenyl)ethyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-ethyl-N-[1-(4-iodophenyl)ethyl]-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H26IN5O2 MolecularWeight: 519.37861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26IN5O2/c1-3-28-21-18(13-25-28)20(27-17-8-10-30-11-9-17)19(12-24-21)22(29)26-14(2)15-4-6-16(23)7-5-15/h4-7,12-14,17H,3,8-11H2,1-2H3,(H,24,27)(H,26,29)