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

Systemtic Name: N-[(3-aminocarbonylphenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[(3-carbamoylphenyl)methyl]-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[(3-carbamoylphenyl)methyl]-1-ethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(3-carbamoylphenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-(3-carbamoylbenzyl)-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)NCC4=CC=CC(=C4)C(=O)N

Isomeric SMILES

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

InChI

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