methyl 5-[(1-methylpiperidin-4-yl)amino]-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-[(1-methylpiperidin-4-yl)amino]-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(1-methyl-4-piperidyl)amino]-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(1-methyl-4-piperidinyl)amino]-3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-methylpiperidin-4-yl)amino]-3-(oxolane-3-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(1-methyl-4-piperidyl)amino]-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H35N5O4 MolecularWeight: 505.6086

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC2=CN=C3C(=C2)C(=C(N3CCC4=CC=CC=C4)C(=O)OC)NC(=O)C5CCOC5

Isomeric SMILES

CN1CCC(CC1)NC2=CN=C3C(=C2)C(=C(N3CCC4=CC=CC=C4)C(=O)OC)NC(=O)C5CCOC5

InChI

InChI=1S/C28H35N5O4/c1-32-12-9-21(10-13-32)30-22-16-23-24(31-27(34)20-11-15-37-18-20)25(28(35)36-2)33(26(23)29-17-22)14-8-19-6-4-3-5-7-19/h3-7,16-17,20-21,30H,8-15,18H2,1-2H3,(H,31,34)