2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C35H47BrN10O5Si — CID 158789538

About 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158789538) has the molecular formula C35H47BrN10O5Si and a molecular weight of 795.82 g/mol. Its IUPAC name is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 158789538
• Molecular Formula: C35H47BrN10O5Si
• Molecular Weight: 795.82 g/mol
• Exact Mass: 794.27
• IUPAC Name: 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CCn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CCCC4)C(C)(C)C)c3n2)cn1.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21
• InChI: InChI=1S/C22H29N7O2.C13H18BrN3O3Si/c1-5-29-13-14(10-25-29)16-12-24-19-17(26-16)15(11-23-19)20(30)27-18(22(2,3)4)21(31)28-8-6-7-9-28;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11/h10-13,18H,5-9H2,1-4H3,(H,23,24)(H,27,30);6-7H,4-5,8H2,1-3H3,(H,18,19)/t18-;/m0./s1
• InChIKey: ISCFSCFXSMNPEF-FERBBOLQSA-N
• XLogP: 5.81
• TPSA: 186.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	795.82
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158789538) is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CCCC4)C(C)(C)C)c3n2)cn1.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.

What is the InChIKey of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is ISCFSCFXSMNPEF-FERBBOLQSA-N. The full InChI is InChI=1S/C22H29N7O2.C13H18BrN3O3Si/c1-5-29-13-14(10-25-29)16-12-24-19-17(26-16)15(11-23-19)20(30)27-18(22(2,3)4)21(31)28-8-6-7-9-28;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11/h10-13,18H,5-9H2,1-4H3,(H,23,24)(H,27,30);6-7H,4-5,8H2,1-3H3,(H,18,19)/t18-;/m0./s1.

What are the key properties of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 795.82 g/mol, XLogP of 5.81, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158789538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).