1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane

C154H119BrFI6N17O21S6Si — CID 160675945

About 1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane

1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane (PubChem CID 160675945) has the molecular formula C154H119BrFI6N17O21S6Si and a molecular weight of 3624.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane
• PubChem CID: 160675945
• Molecular Formula: C154H119BrFI6N17O21S6Si
• Molecular Weight: 3624.56 g/mol
• Exact Mass: 3621.03
• IUPAC Name: 1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)n1cc(Br)c2cc(-c3ccccc3Oc3ccccc3)cnc21.COC(OC)c1ccccc1-c1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1.COc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1OC.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccc(F)cc3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccc4c(c3)OCO4)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3Oc3ncccn3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3cccnc3Oc3ccccc3)cnc21
• InChI: InChI=1S/C25H27BrN2OSi.C24H16IN3O3S.C23H15IN4O3S.C22H19IN2O4S.C21H17IN2O4S.C20H13IN2O4S.C19H12FIN2O2S/c1-25(2,3)30(4,5)28-17-22(26)21-15-18(16-27-24(21)28)20-13-9-10-14-23(20)29-19-11-7-6-8-12-19;25-22-16-28(32(29,30)19-10-5-2-6-11-19)23-21(22)14-17(15-27-23)20-12-7-13-26-24(20)31-18-8-3-1-4-9-18;24-20-15-28(32(29,30)17-7-2-1-3-8-17)22-19(20)13-16(14-27-22)18-9-4-5-10-21(18)31-23-25-11-6-12-26-23;1-28-22(29-2)18-11-7-6-10-17(18)15-12-19-20(23)14-25(21(19)24-13-15)30(26,27)16-8-4-3-5-9-16;1-27-19-9-8-14(11-20(19)28-2)15-10-17-18(22)13-24(21(17)23-12-15)29(25,26)16-6-4-3-5-7-16;21-17-11-23(28(24,25)15-4-2-1-3-5-15)20-16(17)8-14(10-22-20)13-6-7-18-19(9-13)27-12-26-18;20-15-8-6-13(7-9-15)14-10-17-18(21)12-23(19(17)22-11-14)26(24,25)16-4-2-1-3-5-16/h6-17H,1-5H3;1-16H;1-15H;3-14,22H,1-2H3;3-13H,1-2H3;1-11H,12H2;1-12H
• InChIKey: RNNJXQJHXKGNCE-UHFFFAOYSA-N
• XLogP: 37.33
• TPSA: 451.32 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3624.56
LogP ≤ 5	37.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane?

The IUPAC name of 1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane (CID 160675945) is 1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane.

What is the SMILES notation for 1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane?

The canonical SMILES for 1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)n1cc(Br)c2cc(-c3ccccc3Oc3ccccc3)cnc21.COC(OC)c1ccccc1-c1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1.COc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1OC.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccc(F)cc3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccc4c(c3)OCO4)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3Oc3ncccn3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3cccnc3Oc3ccccc3)cnc21.

What is the InChIKey of 1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane?

The InChIKey is RNNJXQJHXKGNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2OSi.C24H16IN3O3S.C23H15IN4O3S.C22H19IN2O4S.C21H17IN2O4S.C20H13IN2O4S.C19H12FIN2O2S/c1-25(2,3)30(4,5)28-17-22(26)21-15-18(16-27-24(21)28)20-13-9-10-14-23(20)29-19-11-7-6-8-12-19;25-22-16-28(32(29,30)19-10-5-2-6-11-19)23-21(22)14-17(15-27-23)20-12-7-13-26-24(20)31-18-8-3-1-4-9-18;24-20-15-28(32(29,30)17-7-2-1-3-8-17)22-19(20)13-16(14-27-22)18-9-4-5-10-21(18)31-23-25-11-6-12-26-23;1-28-22(29-2)18-11-7-6-10-17(18)15-12-19-20(23)14-25(21(19)24-13-15)30(26,27)16-8-4-3-5-9-16;1-27-19-9-8-14(11-20(19)28-2)15-10-17-18(22)13-24(21(17)23-12-15)29(25,26)16-6-4-3-5-7-16;21-17-11-23(28(24,25)15-4-2-1-3-5-15)20-16(17)8-14(10-22-20)13-6-7-18-19(9-13)27-12-26-18;20-15-8-6-13(7-9-15)14-10-17-18(21)12-23(19(17)22-11-14)26(24,25)16-4-2-1-3-5-16/h6-17H,1-5H3;1-16H;1-15H;3-14,22H,1-2H3;3-13H,1-2H3;1-11H,12H2;1-12H.

What are the key properties of 1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane?

1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane has a molecular weight of 3624.56 g/mol, XLogP of 37.33, 31 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-[2-(dimethoxymethyl)phenyl]-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-iodo-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;[3-bromo-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane is sourced from PubChem (CID 160675945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).