disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C146H142BBrN16Na2O39S2 — CID 159149307

About disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159149307) has the molecular formula C146H142BBrN16Na2O39S2 and a molecular weight of 2945.64 g/mol. Its IUPAC name is disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159149307
• Molecular Formula: C146H142BBrN16Na2O39S2
• Molecular Weight: 2945.64 g/mol
• Exact Mass: 2942.81
• IUPAC Name: disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: CC.CC.CC.CO.COc1cc(-c2c[nH]c3ncccc23)cc(OC)c1OC.COc1cc(-c2c[nH]c3ncccc23)ccc1O.COc1ccc(-c2c[nH]c3ncccc23)cc1OC.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1.O=COOOOOOOOOOOOOOOOOOOOO[O-].OB(O)c1ccccc1.[H-].[Na+].[Na+].c1ccc(-c2c[nH]c3ncccc23)cc1.c1ccc(COc2ccc(-c3c[nH]c4ncccc34)cc2)cc1.c1ccc(COc2cccc(-c3c[nH]c4ncccc34)c2)cc1
• InChI: InChI=1S/C20H16N2O2S.2C20H16N2O.C16H16N2O3.C15H14N2O2.C14H11BrN2O2S.C14H12N2O2.C13H10N2.C6H7BO2.3C2H6.CH2O23.CH4O.2Na.H/c1-15-9-11-17(12-10-15)25(23,24)22-14-19(16-6-3-2-4-7-16)18-8-5-13-21-20(18)22;1-2-6-15(7-3-1)14-23-17-9-4-8-16(12-17)19-13-22-20-18(19)10-5-11-21-20;1-2-5-15(6-3-1)14-23-17-10-8-16(9-11-17)19-13-22-20-18(19)7-4-12-21-20;1-19-13-7-10(8-14(20-2)15(13)21-3)12-9-18-16-11(12)5-4-6-17-16;1-18-13-6-5-10(8-14(13)19-2)12-9-17-15-11(12)4-3-7-16-15;1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17;1-18-13-7-9(4-5-12(13)17)11-8-16-14-10(11)3-2-6-15-14;1-2-5-10(6-3-1)12-9-15-13-11(12)7-4-8-14-13;8-7(9)6-4-2-1-3-5-6;3*1-2;2-1-4-6-8-10-12-14-16-18-20-22-24-23-21-19-17-15-13-11-9-7-5-3;1-2;;;/h2-14H,1H3;2*1-13H,14H2,(H,21,22);4-9H,1-3H3,(H,17,18);3-9H,1-2H3,(H,16,17);2-9H,1H3;2-8,17H,1H3,(H,15,16);1-9H,(H,14,15);1-5,8-9H;3*1-2H3;1,3H;2H,1H3;;;/q;;;;;;;;;;;;;;2*+1;-1/p-1
• InChIKey: SCYLPHOOAGUSLP-UHFFFAOYSA-M
• XLogP: 23.13
• TPSA: 664.72 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 49
• Rotatable Bonds: 45
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2945.64
LogP ≤ 5	23.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 159149307) is disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is CC.CC.CC.CO.COc1cc(-c2c[nH]c3ncccc23)cc(OC)c1OC.COc1cc(-c2c[nH]c3ncccc23)ccc1O.COc1ccc(-c2c[nH]c3ncccc23)cc1OC.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1.O=COOOOOOOOOOOOOOOOOOOOO[O-].OB(O)c1ccccc1.[H-].[Na+].[Na+].c1ccc(-c2c[nH]c3ncccc23)cc1.c1ccc(COc2ccc(-c3c[nH]c4ncccc34)cc2)cc1.c1ccc(COc2cccc(-c3c[nH]c4ncccc34)c2)cc1.

What is the InChIKey of disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is SCYLPHOOAGUSLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16N2O2S.2C20H16N2O.C16H16N2O3.C15H14N2O2.C14H11BrN2O2S.C14H12N2O2.C13H10N2.C6H7BO2.3C2H6.CH2O23.CH4O.2Na.H/c1-15-9-11-17(12-10-15)25(23,24)22-14-19(16-6-3-2-4-7-16)18-8-5-13-21-20(18)22;1-2-6-15(7-3-1)14-23-17-9-4-8-16(12-17)19-13-22-20-18(19)10-5-11-21-20;1-2-5-15(6-3-1)14-23-17-10-8-16(9-11-17)19-13-22-20-18(19)7-4-12-21-20;1-19-13-7-10(8-14(20-2)15(13)21-3)12-9-18-16-11(12)5-4-6-17-16;1-18-13-6-5-10(8-14(13)19-2)12-9-17-15-11(12)4-3-7-16-15;1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17;1-18-13-7-9(4-5-12(13)17)11-8-16-14-10(11)3-2-6-15-14;1-2-5-10(6-3-1)12-9-15-13-11(12)7-4-8-14-13;8-7(9)6-4-2-1-3-5-6;3*1-2;2-1-4-6-8-10-12-14-16-18-20-22-24-23-21-19-17-15-13-11-9-7-5-3;1-2;;;/h2-14H,1H3;2*1-13H,14H2,(H,21,22);4-9H,1-3H3,(H,17,18);3-9H,1-2H3,(H,16,17);2-9H,1H3;2-8,17H,1H3,(H,15,16);1-9H,(H,14,15);1-5,8-9H;3*1-2H3;1,3H;2H,1H3;;;/q;;;;;;;;;;;;;;2*+1;-1/p-1.

What are the key properties of disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?

disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2945.64 g/mol, XLogP of 23.13, 45 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159149307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).