sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride

C144H138Br3Cl2N20NaO6S3Si3 — CID 158515078

About sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride

sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride (PubChem CID 158515078) has the molecular formula C144H138Br3Cl2N20NaO6S3Si3 and a molecular weight of 2758.89 g/mol. Its IUPAC name is sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride
• PubChem CID: 158515078
• Molecular Formula: C144H138Br3Cl2N20NaO6S3Si3
• Molecular Weight: 2758.89 g/mol
• Exact Mass: 2752.64
• IUPAC Name: sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride
• SMILES: Brc1cnc2[nH]cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2c1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(Br)cnc21.Cl.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Sc4ccccc4)cc23)cn1.O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(Br)cnc21.[Na+].[OH-].c1ccc(Sc2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
• InChI: InChI=1S/C35H25BrN4O2S.C35H35BrN4OSi.C29H21BrN4.C23H28N4OSSi.C16H12N4S.C6H15ClOSi.ClH.Na.H2O/c36-30-21-32-33(25-39(34(32)37-23-30)43(41,42)31-19-11-4-12-20-31)26-22-38-40(24-26)35(27-13-5-1-6-14-27,28-15-7-2-8-16-28)29-17-9-3-10-18-29;1-42(2,3)20-19-41-26-39-25-33(32-21-31(36)23-37-34(32)39)27-22-38-40(24-27)35(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30;30-25-16-26-27(19-32-28(26)31-18-25)21-17-33-34(20-21)29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;1-26-15-18(13-25-26)22-16-27(17-28-10-11-30(2,3)4)23-21(22)12-20(14-24-23)29-19-8-6-5-7-9-19;1-2-4-12(5-3-1)21-13-6-14-15(11-7-19-20-8-11)10-18-16(14)17-9-13;1-9(2,3)5-4-8-6-7;;;/h1-25H;4-18,21-25H,19-20,26H2,1-3H3;1-20H,(H,31,32);5-9,12-16H,10-11,17H2,1-4H3;1-10H,(H,17,18)(H,19,20);4-6H2,1-3H3;1H;;1H2/q;;;;;;;+1;/p-1
• InChIKey: QONGHYQXEJUACN-UHFFFAOYSA-M
• XLogP: 33.37
• TPSA: 302.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2758.89
LogP ≤ 5	33.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride?

The IUPAC name of sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride (CID 158515078) is sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride.

What is the SMILES notation for sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride?

The canonical SMILES for sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride is Brc1cnc2[nH]cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2c1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(Br)cnc21.Cl.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Sc4ccccc4)cc23)cn1.O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(Br)cnc21.[Na+].[OH-].c1ccc(Sc2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.

What is the InChIKey of sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride?

The InChIKey is QONGHYQXEJUACN-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H25BrN4O2S.C35H35BrN4OSi.C29H21BrN4.C23H28N4OSSi.C16H12N4S.C6H15ClOSi.ClH.Na.H2O/c36-30-21-32-33(25-39(34(32)37-23-30)43(41,42)31-19-11-4-12-20-31)26-22-38-40(24-26)35(27-13-5-1-6-14-27,28-15-7-2-8-16-28)29-17-9-3-10-18-29;1-42(2,3)20-19-41-26-39-25-33(32-21-31(36)23-37-34(32)39)27-22-38-40(24-27)35(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30;30-25-16-26-27(19-32-28(26)31-18-25)21-17-33-34(20-21)29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;1-26-15-18(13-25-26)22-16-27(17-28-10-11-30(2,3)4)23-21(22)12-20(14-24-23)29-19-8-6-5-7-9-19;1-2-4-12(5-3-1)21-13-6-14-15(11-7-19-20-8-11)10-18-16(14)17-9-13;1-9(2,3)5-4-8-6-7;;;/h1-25H;4-18,21-25H,19-20,26H2,1-3H3;1-20H,(H,31,32);5-9,12-16H,10-11,17H2,1-4H3;1-10H,(H,17,18)(H,19,20);4-6H2,1-3H3;1H;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride?

sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride has a molecular weight of 2758.89 g/mol, XLogP of 33.37, 37 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride is sourced from PubChem (CID 158515078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).