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

Systemtic Name: methyl 3-(oxolan-3-ylcarbonylamino)-1-phenethyl-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(1-methyl-3-pyrazol-1-yl-propyl)amino]-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-5-[4-(1-pyrazolyl)butan-2-ylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(oxolane-3-carbonylamino)-1-phenethyl-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(1-methyl-3-pyrazol-1-yl-propyl)amino]-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C29H34N6O4 MolecularWeight: 530.61806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)NC2=CN=C3C(=C2)C(=C(N3CCC4=CC=CC=C4)C(=O)OC)NC(=O)C5CCOC5

Isomeric SMILES

CC(CCN1C=CC=N1)NC2=CN=C3C(=C2)C(=C(N3CCC4=CC=CC=C4)C(=O)OC)NC(=O)C5CCOC5

InChI

InChI=1S/C29H34N6O4/c1-20(9-14-34-13-6-12-31-34)32-23-17-24-25(33-28(36)22-11-16-39-19-22)26(29(37)38-2)35(27(24)30-18-23)15-10-21-7-4-3-5-8-21/h3-8,12-13,17-18,20,22,32H,9-11,14-16,19H2,1-2H3,(H,33,36)