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

Systemtic Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-ethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C(=O)NC(C4CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C(=O)NC(C4CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H31N5O3/c1-3-30-24-20(15-27-30)23(28-18-10-12-33-13-11-18)21(14-26-24)25(31)29-22(16-4-5-16)17-6-8-19(32-2)9-7-17/h6-9,14-16,18,22H,3-5,10-13H2,1-2H3,(H,26,28)(H,29,31)