2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine

C40H54Br2N10O5Si2 — CID 161321978

About 2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine

2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine (PubChem CID 161321978) has the molecular formula C40H54Br2N10O5Si2 and a molecular weight of 970.92 g/mol. Its IUPAC name is 2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine.

Molecular Properties

• Compound Name: 2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine
• PubChem CID: 161321978
• Molecular Formula: C40H54Br2N10O5Si2
• Molecular Weight: 970.92 g/mol
• Exact Mass: 968.22
• IUPAC Name: 2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine
• SMILES: CC(N)c1cccnc1.CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)c1cccnc1.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21
• InChI: InChI=1S/C20H26BrN5O2Si.C13H18BrN3O3Si.C7H10N2/c1-14(15-6-5-7-22-10-15)24-20(27)16-12-26(13-28-8-9-29(2,3)4)19-18(16)25-17(21)11-23-19;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;1-6(8)7-3-2-4-9-5-7/h5-7,10-12,14H,8-9,13H2,1-4H3,(H,24,27);6-7H,4-5,8H2,1-3H3,(H,18,19);2-6H,8H2,1H3
• InChIKey: VKGNAQHOIPCGPU-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 198.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	970.92
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'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-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine?

The IUPAC name of 2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine (CID 161321978) is 2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine.

What is the SMILES notation for 2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine?

The canonical SMILES for 2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine is CC(N)c1cccnc1.CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)c1cccnc1.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.

What is the InChIKey of 2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine?

The InChIKey is VKGNAQHOIPCGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5O2Si.C13H18BrN3O3Si.C7H10N2/c1-14(15-6-5-7-22-10-15)24-20(27)16-12-26(13-28-8-9-29(2,3)4)19-18(16)25-17(21)11-23-19;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;1-6(8)7-3-2-4-9-5-7/h5-7,10-12,14H,8-9,13H2,1-4H3,(H,24,27);6-7H,4-5,8H2,1-3H3,(H,18,19);2-6H,8H2,1H3.

What are the key properties of 2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine?

2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine has a molecular weight of 970.92 g/mol, XLogP of 8.70, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-(1-pyridin-3-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-3-ylethanamine is sourced from PubChem (CID 161321978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).