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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C93H99Br2ClN12O3SSi3 — CID 91033064

About 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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 91033064) has the molecular formula C93H99Br2ClN12O3SSi3 and a molecular weight of 1744.48 g/mol. Its IUPAC name is 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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 91033064
• Molecular Formula: C93H99Br2ClN12O3SSi3
• Molecular Weight: 1744.48 g/mol
• Exact Mass: 1740.50
• IUPAC Name: 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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• 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.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Sc4ccccc4)cc23)cn1
• InChI: InChI=1S/C35H35BrN4OSi.C29H21BrN4.C23H28N4OSSi.C6H15ClOSi/c1-42(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;1-9(2,3)5-4-8-6-7/h4-18,21-25H,19-20,26H2,1-3H3;1-20H,(H,31,32);5-9,12-16H,10-11,17H2,1-4H3;4-6H2,1-3H3
• InChIKey: ZIQNSFIUEQYPMA-UHFFFAOYSA-N
• XLogP: 24.28
• TPSA: 145.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1744.48
LogP ≤ 5	24.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

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 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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of 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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 91033064) is 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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for 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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for 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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane 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.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Sc4ccccc4)cc23)cn1.

What is the InChIKey of 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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is ZIQNSFIUEQYPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35BrN4OSi.C29H21BrN4.C23H28N4OSSi.C6H15ClOSi/c1-42(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;1-9(2,3)5-4-8-6-7/h4-18,21-25H,19-20,26H2,1-3H3;1-20H,(H,31,32);5-9,12-16H,10-11,17H2,1-4H3;4-6H2,1-3H3.

What are the key properties of 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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 1744.48 g/mol, XLogP of 24.28, 27 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 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;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 91033064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).