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

C35H45BrN8O5Si2 — CID 161009234

About 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(5-methoxy-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;2-(5-methoxy-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 161009234) has the molecular formula C35H45BrN8O5Si2 and a molecular weight of 793.87 g/mol. Its IUPAC name is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(5-methoxy-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;2-(5-methoxy-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
• PubChem CID: 161009234
• Molecular Formula: C35H45BrN8O5Si2
• Molecular Weight: 793.87 g/mol
• Exact Mass: 792.22
• IUPAC Name: 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(5-methoxy-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
• SMILES: COc1ccc2c(c1)c(-c1cnc3c(n1)c(C=O)cn3COCC[Si](C)(C)C)nn2C.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21
• InChI: InChI=1S/C22H27N5O3Si.C13H18BrN3O2Si/c1-26-19-7-6-16(29-2)10-17(19)21(25-26)18-11-23-22-20(24-18)15(13-28)12-27(22)14-30-8-9-31(3,4)5;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h6-7,10-13H,8-9,14H2,1-5H3;6-8H,4-5,9H2,1-3H3
• InChIKey: TWXLATBCPOLFFY-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 141.07 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	793.87
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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;2-(5-methoxy-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;2-(5-methoxy-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 161009234) is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(5-methoxy-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;2-(5-methoxy-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;2-(5-methoxy-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is COc1ccc2c(c1)c(-c1cnc3c(n1)c(C=O)cn3COCC[Si](C)(C)C)nn2C.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21.

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

The InChIKey is TWXLATBCPOLFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3Si.C13H18BrN3O2Si/c1-26-19-7-6-16(29-2)10-17(19)21(25-26)18-11-23-22-20(24-18)15(13-28)12-27(22)14-30-8-9-31(3,4)5;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h6-7,10-13H,8-9,14H2,1-5H3;6-8H,4-5,9H2,1-3H3.

What are the key properties of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(5-methoxy-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;2-(5-methoxy-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 793.87 g/mol, XLogP of 7.44, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(5-methoxy-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 161009234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).