2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

C43H51BrCl2N10O4Si2 — CID 157423418

About 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 157423418) has the molecular formula C43H51BrCl2N10O4Si2 and a molecular weight of 978.93 g/mol. Its IUPAC name is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

• Compound Name: 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
• PubChem CID: 157423418
• Molecular Formula: C43H51BrCl2N10O4Si2
• Molecular Weight: 978.93 g/mol
• Exact Mass: 976.22
• IUPAC Name: 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
• SMILES: C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21.Cc1nn(C)c2cc(Cl)ccc12.Cn1nc(-c2cnc3c(n2)c(C=O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21
• InChI: InChI=1S/C21H24ClN5O2Si.C13H18BrN3O2Si.C9H9ClN2/c1-26-18-9-15(22)5-6-16(18)20(25-26)17-10-23-21-19(24-17)14(12-28)11-27(21)13-29-7-8-30(2,3)4;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12;1-6-8-4-3-7(10)5-9(8)12(2)11-6/h5-6,9-12H,7-8,13H2,1-4H3;6-8H,4-5,9H2,1-3H3;3-5H,1-2H3
• InChIKey: BPRGXUFZCVQBCI-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 149.66 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	978.93
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

The IUPAC name of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 157423418) is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

What is the SMILES notation for 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

The canonical SMILES for 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21.Cc1nn(C)c2cc(Cl)ccc12.Cn1nc(-c2cnc3c(n2)c(C=O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21.

What is the InChIKey of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

The InChIKey is BPRGXUFZCVQBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2Si.C13H18BrN3O2Si.C9H9ClN2/c1-26-18-9-15(22)5-6-16(18)20(25-26)17-10-23-21-19(24-17)14(12-28)11-27(21)13-29-7-8-30(2,3)4;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12;1-6-8-4-3-7(10)5-9(8)12(2)11-6/h5-6,9-12H,7-8,13H2,1-4H3;6-8H,4-5,9H2,1-3H3;3-5H,1-2H3.

What are the key properties of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 978.93 g/mol, XLogP of 10.62, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;6-chloro-1,3-dimethylindazole;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 157423418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).