(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

C34H45Br2N9O5Si2 — CID 123566766

About (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 123566766) has the molecular formula C34H45Br2N9O5Si2 and a molecular weight of 875.77 g/mol. Its IUPAC name is (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

• Compound Name: (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
• PubChem CID: 123566766
• Molecular Formula: C34H45Br2N9O5Si2
• Molecular Weight: 875.77 g/mol
• Exact Mass: 873.14
• IUPAC Name: (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
• SMILES: C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21.Cc1cnc2c(n1)c(C=O)cn2COCC[Si](C)(C)C.OCc1c[nH]c2ncc(Br)nc12
• InChI: InChI=1S/C14H21N3O2Si.C13H18BrN3O2Si.C7H6BrN3O/c1-11-7-15-14-13(16-11)12(9-18)8-17(14)10-19-5-6-20(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;8-5-2-10-7-6(11-5)4(3-12)1-9-7/h7-9H,5-6,10H2,1-4H3;6-8H,4-5,9H2,1-3H3;1-2,12H,3H2,(H,9,10)
• InChIKey: VSNFMNDFTSKLCE-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 175.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	875.77
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	2
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-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

The IUPAC name of (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 123566766) is (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

What is the SMILES notation for (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

The canonical SMILES for (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21.Cc1cnc2c(n1)c(C=O)cn2COCC[Si](C)(C)C.OCc1c[nH]c2ncc(Br)nc12.

What is the InChIKey of (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

The InChIKey is VSNFMNDFTSKLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2Si.C13H18BrN3O2Si.C7H6BrN3O/c1-11-7-15-14-13(16-11)12(9-18)8-17(14)10-19-5-6-20(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;8-5-2-10-7-6(11-5)4(3-12)1-9-7/h7-9H,5-6,10H2,1-4H3;6-8H,4-5,9H2,1-3H3;1-2,12H,3H2,(H,9,10).

What are the key properties of (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 875.77 g/mol, XLogP of 7.40, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanol;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 123566766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).