methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-[(1-phenylpyrazol-4-yl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-[(1-phenylpyrazol-4-yl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-[(1-phenylpyrazol-4-yl)methylamino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-1-(2-oxolanylmethyl)-5-[(1-phenyl-4-pyrazolyl)methylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-[(1-phenylpyrazol-4-yl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-[(1-phenylpyrazol-4-yl)methylamino]-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C31H30N6O4 MolecularWeight: 550.6077

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NCC4=CN(N=C4)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NCC4=CN(N=C4)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H30N6O4/c1-40-31(39)28-27(35-30(38)22-9-4-2-5-10-22)26-15-23(18-33-29(26)36(28)20-25-13-8-14-41-25)32-16-21-17-34-37(19-21)24-11-6-3-7-12-24/h2-7,9-12,15,17-19,25,32H,8,13-14,16,20H2,1H3,(H,35,38)