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

Systemtic Name: 6-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)-N-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-benzyl-6-cyclopentyl-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 6-cyclopentyl-1-ethyl-4-(4-oxanylamino)-N-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-benzyl-6-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-benzyl-6-cyclopentyl-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)C(=O)NCC4=CC=CC=C4)C5CCCC5

Isomeric SMILES

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)C(=O)NCC4=CC=CC=C4)C5CCCC5

InChI

InChI=1S/C26H33N5O2/c1-2-31-25-21(17-28-31)24(29-20-12-14-33-15-13-20)22(23(30-25)19-10-6-7-11-19)26(32)27-16-18-8-4-3-5-9-18/h3-5,8-9,17,19-20H,2,6-7,10-16H2,1H3,(H,27,32)(H,29,30)