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

C35H43BrF2N8O5Si2 — CID 160650421

About 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-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-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 160650421) has the molecular formula C35H43BrF2N8O5Si2 and a molecular weight of 829.85 g/mol. Its IUPAC name is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-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-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
• PubChem CID: 160650421
• Molecular Formula: C35H43BrF2N8O5Si2
• Molecular Weight: 829.85 g/mol
• Exact Mass: 828.20
• IUPAC Name: 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-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.Cn1nc(-c2cnc3c(n2)c(C=O)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21
• InChI: InChI=1S/C22H25F2N5O3Si.C13H18BrN3O2Si/c1-28-18-6-5-15(32-22(23)24)9-16(18)20(27-28)17-10-25-21-19(26-17)14(12-30)11-29(21)13-31-7-8-33(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/h5-6,9-12,22H,7-8,13H2,1-4H3;6-8H,4-5,9H2,1-3H3
• InChIKey: RKINWIQJAWAFMC-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 141.07 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	829.85
LogP ≤ 5	8.03
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-(difluoromethoxy)-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-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 160650421) is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-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-(difluoromethoxy)-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-(difluoromethoxy)-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.Cn1nc(-c2cnc3c(n2)c(C=O)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21.

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

The InChIKey is RKINWIQJAWAFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O3Si.C13H18BrN3O2Si/c1-28-18-6-5-15(32-22(23)24)9-16(18)20(27-28)17-10-25-21-19(26-17)14(12-30)11-29(21)13-31-7-8-33(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/h5-6,9-12,22H,7-8,13H2,1-4H3;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-(difluoromethoxy)-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-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 829.85 g/mol, XLogP of 8.03, 15 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-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 160650421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).