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

Systemtic Name: 1-ethyl-N-[(3-methylsulfonylphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-ethyl-N-[(3-methylsulfonylphenyl)methyl]-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1-ethyl-N-[(3-methylsulfonylphenyl)methyl]-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-ethyl-N-[(3-methylsulfonylphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-ethyl-N-(3-mesylbenzyl)-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C(=O)NCC4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C(=O)NCC4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C22H27N5O4S/c1-3-27-21-18(14-25-27)20(26-16-7-9-31-10-8-16)19(13-23-21)22(28)24-12-15-5-4-6-17(11-15)32(2,29)30/h4-6,11,13-14,16H,3,7-10,12H2,1-2H3,(H,23,26)(H,24,28)