1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole

C58H84BrN15O5Si2 — CID 161371172

About 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole

1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole (PubChem CID 161371172) has the molecular formula C58H84BrN15O5Si2 and a molecular weight of 1207.49 g/mol. Its IUPAC name is 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole.

Molecular Properties

• Compound Name: 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole
• PubChem CID: 161371172
• Molecular Formula: C58H84BrN15O5Si2
• Molecular Weight: 1207.49 g/mol
• Exact Mass: 1205.55
• IUPAC Name: 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole
• SMILES: C.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.Cc1ncc[nH]1.Cc1nccn1-c1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1.Cc1nccn1-c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2COCC[Si](C)(C)C
• InChI: InChI=1S/C21H31N5O2Si.C17H26BrN3O2Si.C15H17N5O.C4H6N2.CH4/c1-15-22-8-9-26(15)17-12-23-20-18(24-17)16(19(27)21(2,3)4)13-25(20)14-28-10-11-29(5,6)7;1-17(2,3)15(22)12-10-21(11-23-7-8-24(4,5)6)16-14(12)20-13(18)9-19-16;1-9-16-5-6-20(9)11-8-18-14-12(19-11)10(7-17-14)13(21)15(2,3)4;1-4-5-2-3-6-4;/h8-9,12-13H,10-11,14H2,1-7H3;9-10H,7-8,11H2,1-6H3;5-8H,1-4H3,(H,17,18);2-3H,1H3,(H,5,6);1H4
• InChIKey: VQMAWKZQRNXPMD-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 236.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1207.49
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

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 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole?

The IUPAC name of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole (CID 161371172) is 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole.

What is the SMILES notation for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole?

The canonical SMILES for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole is C.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.Cc1ncc[nH]1.Cc1nccn1-c1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1.Cc1nccn1-c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2COCC[Si](C)(C)C.

What is the InChIKey of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole?

The InChIKey is VQMAWKZQRNXPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2Si.C17H26BrN3O2Si.C15H17N5O.C4H6N2.CH4/c1-15-22-8-9-26(15)17-12-23-20-18(24-17)16(19(27)21(2,3)4)13-25(20)14-28-10-11-29(5,6)7;1-17(2,3)15(22)12-10-21(11-23-7-8-24(4,5)6)16-14(12)20-13(18)9-19-16;1-9-16-5-6-20(9)11-8-18-14-12(19-11)10(7-17-14)13(21)15(2,3)4;1-4-5-2-3-6-4;/h8-9,12-13H,10-11,14H2,1-7H3;9-10H,7-8,11H2,1-6H3;5-8H,1-4H3,(H,17,18);2-3H,1H3,(H,5,6);1H4.

What are the key properties of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole?

1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole has a molecular weight of 1207.49 g/mol, XLogP of 13.24, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(2-methylimidazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;methane;2-methyl-1H-imidazole is sourced from PubChem (CID 161371172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).