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

C48H69Br2N13O8Si2 — CID 161214883

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

2-bromo-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(1-ethylpyrazol-4-yl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 161214883) has the molecular formula C48H69Br2N13O8Si2 and a molecular weight of 1172.14 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(1-ethylpyrazol-4-yl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(1-ethylpyrazol-4-yl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 161214883
• Molecular Formula: C48H69Br2N13O8Si2
• Molecular Weight: 1172.14 g/mol
• Exact Mass: 1169.33
• IUPAC Name: 2-bromo-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(1-ethylpyrazol-4-yl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CCn1cc(-c2cnc3[nH]cc(C(=O)N[C@H](C)C(C)(C)O)c3n2)cn1.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(C)(C)O.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21
• InChI: InChI=1S/C18H29BrN4O3Si.C17H22N6O2.C13H18BrN3O3Si/c1-12(18(2,3)25)21-17(24)13-10-23(11-26-7-8-27(4,5)6)16-15(13)22-14(19)9-20-16;1-5-23-9-11(6-20-23)13-8-19-15-14(22-13)12(7-18-15)16(24)21-10(2)17(3,4)25;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11/h9-10,12,25H,7-8,11H2,1-6H3,(H,21,24);6-10,25H,5H2,1-4H3,(H,18,19)(H,21,24);6-7H,4-5,8H2,1-3H3,(H,18,19)/t12-;10-;/m11./s1
• InChIKey: UWSLEEMLZJICNY-HQLSWJFNSA-N
• XLogP: 8.33
• TPSA: 275.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1172.14
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(1-ethylpyrazol-4-yl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-bromo-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(1-ethylpyrazol-4-yl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 161214883) is 2-bromo-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(1-ethylpyrazol-4-yl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

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

The canonical SMILES for 2-bromo-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(1-ethylpyrazol-4-yl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCn1cc(-c2cnc3[nH]cc(C(=O)N[C@H](C)C(C)(C)O)c3n2)cn1.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(C)(C)O.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.

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

The InChIKey is UWSLEEMLZJICNY-HQLSWJFNSA-N. The full InChI is InChI=1S/C18H29BrN4O3Si.C17H22N6O2.C13H18BrN3O3Si/c1-12(18(2,3)25)21-17(24)13-10-23(11-26-7-8-27(4,5)6)16-15(13)22-14(19)9-20-16;1-5-23-9-11(6-20-23)13-8-19-15-14(22-13)12(7-18-15)16(24)21-10(2)17(3,4)25;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11/h9-10,12,25H,7-8,11H2,1-6H3,(H,21,24);6-10,25H,5H2,1-4H3,(H,18,19)(H,21,24);6-7H,4-5,8H2,1-3H3,(H,18,19)/t12-;10-;/m11./s1.

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

2-bromo-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(1-ethylpyrazol-4-yl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1172.14 g/mol, XLogP of 8.33, 19 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(1-ethylpyrazol-4-yl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 161214883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).