1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine

C165H123BrF3I9N24O12S5 — CID 160556092

About 1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 160556092) has the molecular formula C165H123BrF3I9N24O12S5 and a molecular weight of 4073.32 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 160556092
• Molecular Formula: C165H123BrF3I9N24O12S5
• Molecular Weight: 4073.32 g/mol
• Exact Mass: 4069.89
• IUPAC Name: 1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
• SMILES: CCOC(=O)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(Br)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.COc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.Fc1ccc(-c2cnc3[nH]cc(I)c3c2)c(F)c1.Fc1ccccc1-c1cnc2[nH]cc(I)c2c1.Ic1c[nH]c2ncc(-c3ccccc3)cc12.Ic1c[nH]c2ncc(-c3cccs3)cc12.N#Cc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccc(N4CCOCC4)cc3)cnc21
• InChI: InChI=1S/C23H20IN3O3S.C22H17IN2O4S.C20H12IN3O2S.C20H15IN2O3S.C15H14BrN3.C15H14IN3.C13H7F2IN2.C13H8FIN2.C13H9IN2.C11H7IN2S/c24-22-16-27(31(28,29)20-4-2-1-3-5-20)23-21(22)14-18(15-25-23)17-6-8-19(9-7-17)26-10-12-30-13-11-26;1-2-29-22(26)16-10-8-15(9-11-16)17-12-19-20(23)14-25(21(19)24-13-17)30(27,28)18-6-4-3-5-7-18;21-19-13-24(27(25,26)17-4-2-1-3-5-17)20-18(19)10-16(12-23-20)15-8-6-14(11-22)7-9-15;1-26-16-9-7-14(8-10-16)15-11-18-19(21)13-23(20(18)22-12-15)27(24,25)17-5-3-2-4-6-17;2*1-19(2)12-5-3-10(4-6-12)11-7-13-14(16)9-18-15(13)17-8-11;14-8-1-2-9(11(15)4-8)7-3-10-12(16)6-18-13(10)17-5-7;14-11-4-2-1-3-9(11)8-5-10-12(15)7-17-13(10)16-6-8;14-12-8-16-13-11(12)6-10(7-15-13)9-4-2-1-3-5-9;12-9-6-14-11-8(9)4-7(5-13-11)10-2-1-3-15-10/h1-9,14-16H,10-13H2;3-14H,2H2,1H3;1-10,12-13H;2-13H,1H3;2*3-9H,1-2H3,(H,17,18);1-6H,(H,17,18);1-7H,(H,16,17);1-8H,(H,15,16);1-6H,(H,13,14)
• InChIKey: QYRVWHQFKSXTTQ-UHFFFAOYSA-N
• XLogP: 41.85
• TPSA: 458.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4073.32
LogP ≤ 5	41.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 160556092) is 1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine is CCOC(=O)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(Br)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.COc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.Fc1ccc(-c2cnc3[nH]cc(I)c3c2)c(F)c1.Fc1ccccc1-c1cnc2[nH]cc(I)c2c1.Ic1c[nH]c2ncc(-c3ccccc3)cc12.Ic1c[nH]c2ncc(-c3cccs3)cc12.N#Cc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccc(N4CCOCC4)cc3)cnc21.

What is the InChIKey of 1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is QYRVWHQFKSXTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20IN3O3S.C22H17IN2O4S.C20H12IN3O2S.C20H15IN2O3S.C15H14BrN3.C15H14IN3.C13H7F2IN2.C13H8FIN2.C13H9IN2.C11H7IN2S/c24-22-16-27(31(28,29)20-4-2-1-3-5-20)23-21(22)14-18(15-25-23)17-6-8-19(9-7-17)26-10-12-30-13-11-26;1-2-29-22(26)16-10-8-15(9-11-16)17-12-19-20(23)14-25(21(19)24-13-17)30(27,28)18-6-4-3-5-7-18;21-19-13-24(27(25,26)17-4-2-1-3-5-17)20-18(19)10-16(12-23-20)15-8-6-14(11-22)7-9-15;1-26-16-9-7-14(8-10-16)15-11-18-19(21)13-23(20(18)22-12-15)27(24,25)17-5-3-2-4-6-17;2*1-19(2)12-5-3-10(4-6-12)11-7-13-14(16)9-18-15(13)17-8-11;14-8-1-2-9(11(15)4-8)7-3-10-12(16)6-18-13(10)17-5-7;14-11-4-2-1-3-9(11)8-5-10-12(15)7-17-13(10)16-6-8;14-12-8-16-13-11(12)6-10(7-15-13)9-4-2-1-3-5-9;12-9-6-14-11-8(9)4-7(5-13-11)10-2-1-3-15-10/h1-9,14-16H,10-13H2;3-14H,2H2,1H3;1-10,12-13H;2-13H,1H3;2*3-9H,1-2H3,(H,17,18);1-6H,(H,17,18);1-7H,(H,16,17);1-8H,(H,15,16);1-6H,(H,13,14).

What are the key properties of 1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?

1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 4073.32 g/mol, XLogP of 41.85, 24 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-3-iodo-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-(2,4-difluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(2-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-phenyl-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;3-iodo-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160556092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).