2-methylpropyl 4-(2-azanylethanoylamino)-2-(4-fluorophenyl)-3-pyridin-4-yl-pyrrolo[2,3-b]pyridine-1-carboxylate

Systemtic Name: 2-methylpropyl 4-(2-azanylethanoylamino)-2-(4-fluorophenyl)-3-pyridin-4-yl-pyrrolo[2,3-b]pyridine-1-carboxylate Openeye Name: isobutyl 4-[(2-aminoacetyl)amino]-2-(4-fluorophenyl)-3-(4-pyridyl)pyrrolo[2,3-b]pyridine-1-carboxylate CAS Name: 4-[(2-amino-1-oxoethyl)amino]-2-(4-fluorophenyl)-3-pyridin-4-yl-1-pyrrolo[2,3-b]pyridinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(2-aminoacetyl)amino]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate Traditional Name: 2-(4-fluorophenyl)-4-(glycylamino)-3-(4-pyridyl)pyrrolo[2,3-b]pyridine-1-carboxylic acid isobutyl ester Formula: C25H24FN5O3 MolecularWeight: 461.488163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1C(=C(C2=C(C=CN=C21)NC(=O)CN)C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)COC(=O)N1C(=C(C2=C(C=CN=C21)NC(=O)CN)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN5O3/c1-15(2)14-34-25(33)31-23(17-3-5-18(26)6-4-17)21(16-7-10-28-11-8-16)22-19(30-20(32)13-27)9-12-29-24(22)31/h3-12,15H,13-14,27H2,1-2H3,(H,29,30,32)