methyl 3-(oxolan-3-ylcarbonylamino)-1-phenethyl-5-[(1-pyridin-2-ylpyrrol-2-yl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(oxolan-3-ylcarbonylamino)-1-phenethyl-5-[(1-pyridin-2-ylpyrrol-2-yl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-phenethyl-5-[[1-(2-pyridyl)pyrrol-2-yl]methylamino]-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-5-[[1-(2-pyridinyl)-2-pyrrolyl]methylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(oxolane-3-carbonylamino)-1-phenethyl-5-[(1-pyridin-2-ylpyrrol-2-yl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-phenethyl-5-[[1-(2-pyridyl)pyrrol-2-yl]methylamino]-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C32H32N6O4 MolecularWeight: 564.63428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CC=CN4C5=CC=CC=N5)NC(=O)C6CCOC6

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CC=CN4C5=CC=CC=N5)NC(=O)C6CCOC6

InChI

InChI=1S/C32H32N6O4/c1-41-32(40)29-28(36-31(39)23-13-17-42-21-23)26-18-24(19-35-30(26)38(29)16-12-22-8-3-2-4-9-22)34-20-25-10-7-15-37(25)27-11-5-6-14-33-27/h2-11,14-15,18-19,23,34H,12-13,16-17,20-21H2,1H3,(H,36,39)