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

Systemtic Name: methyl 3-acetamido-1-(oxolan-2-ylmethyl)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(1-methyl-3-pyrazol-1-yl-propyl)amino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-(2-oxolanylmethyl)-5-[4-(1-pyrazolyl)butan-2-ylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-(oxolan-2-ylmethyl)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(1-methyl-3-pyrazol-1-yl-propyl)amino]-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)NC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C

Isomeric SMILES

CC(CCN1C=CC=N1)NC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C

InChI

InChI=1S/C23H30N6O4/c1-15(7-10-28-9-5-8-25-28)26-17-12-19-20(27-16(2)30)21(23(31)32-3)29(22(19)24-13-17)14-18-6-4-11-33-18/h5,8-9,12-13,15,18,26H,4,6-7,10-11,14H2,1-3H3,(H,27,30)