methyl 3-acetamido-1-ethyl-5-[1-(2-fluorophenyl)propan-2-ylamino]pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-1-ethyl-5-[1-(2-fluorophenyl)propan-2-ylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-1-ethyl-5-[[2-(2-fluorophenyl)-1-methyl-ethyl]amino]pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-ethyl-5-[1-(2-fluorophenyl)propan-2-ylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-ethyl-5-[1-(2-fluorophenyl)propan-2-ylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-1-ethyl-5-[[2-(2-fluorophenyl)-1-methyl-ethyl]amino]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H25FN4O3 MolecularWeight: 412.457303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=CN=C21)NC(C)CC3=CC=CC=C3F)NC(=O)C)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC(=CN=C21)NC(C)CC3=CC=CC=C3F)NC(=O)C)C(=O)OC

InChI

InChI=1S/C22H25FN4O3/c1-5-27-20(22(29)30-4)19(26-14(3)28)17-11-16(12-24-21(17)27)25-13(2)10-15-8-6-7-9-18(15)23/h6-9,11-13,25H,5,10H2,1-4H3,(H,26,28)