2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate

C85H118Br5ClN22O16Si3 — CID 162256590

About 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate

2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate (PubChem CID 162256590) has the molecular formula C85H118Br5ClN22O16Si3 and a molecular weight of 2223.25 g/mol. Its IUPAC name is 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

• Compound Name: 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
• PubChem CID: 162256590
• Molecular Formula: C85H118Br5ClN22O16Si3
• Molecular Weight: 2223.25 g/mol
• Exact Mass: 2216.40
• IUPAC Name: 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
• SMILES: Brc1cnc2[nH]ccc2n1.CC(C)(C)OC(=O)N1CCC(N)CC1.CCOC(=O)c1c[nH]c2ncc(Br)nc12.CCOC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CCOC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(NC3CCN(C(=O)OC(C)(C)C)CC3)nc12.C[Si](C)(C)CCOCCl.O=C(O)c1c[nH]c2ncc(Br)nc12.O=Cc1c[nH]c2ncc(Br)nc12
• InChI: InChI=1S/C25H41N5O5Si.C15H22BrN3O3Si.C10H20N2O2.C9H8BrN3O2.C7H4BrN3O2.C7H4BrN3O.C6H4BrN3.C6H15ClOSi/c1-8-34-23(31)19-16-30(17-33-13-14-36(5,6)7)22-21(19)28-20(15-26-22)27-18-9-11-29(12-10-18)24(32)35-25(2,3)4;1-5-22-15(20)11-9-19(10-21-6-7-23(2,3)4)14-13(11)18-12(16)8-17-14;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-2-15-9(14)5-3-11-8-7(5)13-6(10)4-12-8;8-4-2-10-6-5(11-4)3(1-9-6)7(12)13;8-5-2-10-7-6(11-5)4(3-12)1-9-7;7-5-3-9-6-4(10-5)1-2-8-6;1-9(2,3)5-4-8-6-7/h15-16,18H,8-14,17H2,1-7H3,(H,27,28);8-9H,5-7,10H2,1-4H3;8H,4-7,11H2,1-3H3;3-4H,2H2,1H3,(H,11,12);1-2H,(H,9,10)(H,12,13);1-3H,(H,9,10);1-3H,(H,8,9);4-6H2,1-3H3
• InChIKey: ZYRDIDACBCKWQB-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 485.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2223.25
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?

The IUPAC name of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate (CID 162256590) is 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate.

What is the SMILES notation for 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?

The canonical SMILES for 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate is Brc1cnc2[nH]ccc2n1.CC(C)(C)OC(=O)N1CCC(N)CC1.CCOC(=O)c1c[nH]c2ncc(Br)nc12.CCOC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CCOC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(NC3CCN(C(=O)OC(C)(C)C)CC3)nc12.C[Si](C)(C)CCOCCl.O=C(O)c1c[nH]c2ncc(Br)nc12.O=Cc1c[nH]c2ncc(Br)nc12.

What is the InChIKey of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?

The InChIKey is ZYRDIDACBCKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O5Si.C15H22BrN3O3Si.C10H20N2O2.C9H8BrN3O2.C7H4BrN3O2.C7H4BrN3O.C6H4BrN3.C6H15ClOSi/c1-8-34-23(31)19-16-30(17-33-13-14-36(5,6)7)22-21(19)28-20(15-26-22)27-18-9-11-29(12-10-18)24(32)35-25(2,3)4;1-5-22-15(20)11-9-19(10-21-6-7-23(2,3)4)14-13(11)18-12(16)8-17-14;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-2-15-9(14)5-3-11-8-7(5)13-6(10)4-12-8;8-4-2-10-6-5(11-4)3(1-9-6)7(12)13;8-5-2-10-7-6(11-5)4(3-12)1-9-7;7-5-3-9-6-4(10-5)1-2-8-6;1-9(2,3)5-4-8-6-7/h15-16,18H,8-14,17H2,1-7H3,(H,27,28);8-9H,5-7,10H2,1-4H3;8H,4-7,11H2,1-3H3;3-4H,2H2,1H3,(H,11,12);1-2H,(H,9,10)(H,12,13);1-3H,(H,9,10);1-3H,(H,8,9);4-6H2,1-3H3.

What are the key properties of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?

2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate has a molecular weight of 2223.25 g/mol, XLogP of 18.87, 24 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 162256590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).