ethyl 2-[[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: ethyl 2-[[1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-2-phenyl-acetate CAS Name: 2-[[[1-ethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-2-phenylacetate Traditional Name: 2-[[1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-2-phenyl-acetic acid ethyl ester Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O4/c1-3-29-22-18(15-26-29)21(27-17-10-12-32-13-11-17)19(14-25-22)23(30)28-20(24(31)33-4-2)16-8-6-5-7-9-16/h5-9,14-15,17,20H,3-4,10-13H2,1-2H3,(H,25,27)(H,28,30)