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

Systemtic Name: methyl 3-[(4-methoxyphenyl)carbonylamino]-1-methyl-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-[(4-methoxybenzoyl)amino]-1-methyl-5-[(1-methyl-3-pyrazol-1-yl-propyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[(4-methoxyphenyl)-oxomethyl]amino]-1-methyl-5-[4-(1-pyrazolyl)butan-2-ylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methoxybenzoyl)amino]-1-methyl-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-methyl-5-[(1-methyl-3-pyrazol-1-yl-propyl)amino]-3-(p-anisoylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H28N6O4 MolecularWeight: 476.52762

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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)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O4/c1-16(10-13-31-12-5-11-27-31)28-18-14-20-21(22(25(33)35-4)30(2)23(20)26-15-18)29-24(32)17-6-8-19(34-3)9-7-17/h5-9,11-12,14-16,28H,10,13H2,1-4H3,(H,29,32)