2-[(2,6-dimethylpyridin-3-yl)oxymethyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 2-[(2,6-dimethylpyridin-3-yl)oxymethyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine Openeye Name: 2-[(2,6-dimethyl-3-pyridyl)oxymethyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine CAS Name: 2-[(2,6-dimethyl-3-pyridinyl)oxymethyl]-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 2-[(2,6-dimethylpyridin-3-yl)oxymethyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine Traditional Name: 2-[(2,6-dimethyl-3-pyridyl)oxymethyl]-4-(4-pyrrolidinosulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine Formula: C25H26N4O3S MolecularWeight: 462.56394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC2=CC3=C(C=CN=C3N2)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C

Isomeric SMILES

CC1=NC(=C(C=C1)OCC2=CC3=C(C=CN=C3N2)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C

InChI

InChI=1S/C25H26N4O3S/c1-17-5-10-24(18(2)27-17)32-16-20-15-23-22(11-12-26-25(23)28-20)19-6-8-21(9-7-19)33(30,31)29-13-3-4-14-29/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,26,28)