methyl 1-methyl-3-(3-phenylpropanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 1-methyl-3-(3-phenylpropanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-methyl-5-[(1-methyl-3-pyrazol-1-yl-propyl)amino]-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 1-methyl-3-[(1-oxo-3-phenylpropyl)amino]-5-[4-(1-pyrazolyl)butan-2-ylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-3-(3-phenylpropanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(hydrocinnamoylamino)-1-methyl-5-[(1-methyl-3-pyrazol-1-yl-propyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)NC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(CCN1C=CC=N1)NC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H30N6O3/c1-18(12-15-32-14-7-13-28-32)29-20-16-21-23(24(26(34)35-3)31(2)25(21)27-17-20)30-22(33)11-10-19-8-5-4-6-9-19/h4-9,13-14,16-18,29H,10-12,15H2,1-3H3,(H,30,33)