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

Systemtic Name: ethyl 2-[[4-(cyclohexylamino)-1-ethyl-pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: ethyl 2-[[4-(cyclohexylamino)-1-ethyl-pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-2-phenyl-acetate CAS Name: 2-[[[4-(cyclohexylamino)-1-ethyl-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]-2-phenylacetate Traditional Name: 2-[[4-(cyclohexylamino)-1-ethyl-pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-2-phenyl-acetic acid ethyl ester Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCCCC3)C(=O)NC(C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCCCC3)C(=O)NC(C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C25H31N5O3/c1-3-30-23-19(16-27-30)22(28-18-13-9-6-10-14-18)20(15-26-23)24(31)29-21(25(32)33-4-2)17-11-7-5-8-12-17/h5,7-8,11-12,15-16,18,21H,3-4,6,9-10,13-14H2,1-2H3,(H,26,28)(H,29,31)