methyl 3-(cyclobutylcarbonylamino)-5-[(3,5-dimethoxyphenyl)methylamino]-1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(cyclobutylcarbonylamino)-5-[(3,5-dimethoxyphenyl)methylamino]-1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-(cyclobutanecarbonylamino)-5-[(3,5-dimethoxyphenyl)methylamino]-1-[2-(2-pyridyl)ethyl]pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[cyclobutyl(oxo)methyl]amino]-5-[(3,5-dimethoxyphenyl)methylamino]-1-[2-(2-pyridinyl)ethyl]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(cyclobutanecarbonylamino)-5-[(3,5-dimethoxyphenyl)methylamino]-1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(cyclobutanecarbonylamino)-5-[(3,5-dimethoxybenzyl)amino]-1-[2-(2-pyridyl)ethyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C30H33N5O5 MolecularWeight: 543.61352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC2=CN=C3C(=C2)C(=C(N3CCC4=CC=CC=N4)C(=O)OC)NC(=O)C5CCC5)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CNC2=CN=C3C(=C2)C(=C(N3CCC4=CC=CC=N4)C(=O)OC)NC(=O)C5CCC5)OC

InChI

InChI=1S/C30H33N5O5/c1-38-23-13-19(14-24(16-23)39-2)17-32-22-15-25-26(34-29(36)20-7-6-8-20)27(30(37)40-3)35(28(25)33-18-22)12-10-21-9-4-5-11-31-21/h4-5,9,11,13-16,18,20,32H,6-8,10,12,17H2,1-3H3,(H,34,36)