sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide

C134H219Br3N29NaO19Si5 — CID 167556448

About sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide

sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide (PubChem CID 167556448) has the molecular formula C134H219Br3N29NaO19Si5 and a molecular weight of 2943.54 g/mol. Its IUPAC name is sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide.

Molecular Properties

• Compound Name: sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide
• PubChem CID: 167556448
• Molecular Formula: C134H219Br3N29NaO19Si5
• Molecular Weight: 2943.54 g/mol
• Exact Mass: 2938.34
• IUPAC Name: sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide
• SMILES: Brc1cnc2[nH]ccc2n1.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2cnc3[nH]cc(C(=O)C4CCC4)c3n2)CC1.CC(C)(C)OC(=O)N1CCC(Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)CC1.CC(C)(C)OC(=O)N1CCC(Nc2cnc3c(n2)c(Br)cn3COCC[Si](C)(C)C)CC1.CC(C)(C)OC(=O)N1CCC(Nc2cnc3c(n2)c(C(=O)C2CCC2)cn3COCC[Si](C)(C)C)CC1.CCOCC[Si](C)(C)C.CON(C)C(=O)C1CCC1.C[Si](C)(C)CCOCn1ccc2nc(Br)cnc21.[H-].[Na+]
• InChI: InChI=1S/C27H43N5O4Si.C22H36BrN5O3Si.C22H37N5O3Si.C21H29N5O3.C12H18BrN3OSi.C10H20N2O2.C7H13NO2.C7H18OSi.C6H4BrN3.Na.H/c1-27(2,3)36-26(34)31-12-10-20(11-13-31)29-22-16-28-25-23(30-22)21(24(33)19-8-7-9-19)17-32(25)18-35-14-15-37(4,5)6;1-22(2,3)31-21(29)27-9-7-16(8-10-27)25-18-13-24-20-19(26-18)17(23)14-28(20)15-30-11-12-32(4,5)6;1-22(2,3)30-21(28)26-10-7-17(8-11-26)24-19-15-23-20-18(25-19)9-12-27(20)16-29-13-14-31(4,5)6;1-21(2,3)29-20(28)26-9-7-14(8-10-26)24-16-12-23-19-17(25-16)15(11-22-19)18(27)13-5-4-6-13;1-18(2,3)7-6-17-9-16-5-4-10-12(16)14-8-11(13)15-10;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-8(10-2)7(9)6-4-3-5-6;1-5-8-6-7-9(2,3)4;7-5-3-9-6-4(10-5)1-2-8-6;;/h16-17,19-20H,7-15,18H2,1-6H3,(H,29,30);13-14,16H,7-12,15H2,1-6H3,(H,25,26);9,12,15,17H,7-8,10-11,13-14,16H2,1-6H3,(H,24,25);11-14H,4-10H2,1-3H3,(H,22,23)(H,24,25);4-5,8H,6-7,9H2,1-3H3;8H,4-7,11H2,1-3H3;6H,3-5H2,1-2H3;5-7H2,1-4H3;1-3H,(H,8,9);;/q;;;;;;;;;+1;-1
• InChIKey: ISPLJPZTBFHGOY-UHFFFAOYSA-N
• XLogP: 26.02
• TPSA: 537.65 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 38
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2943.54
LogP ≤ 5	26.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide?

The IUPAC name of sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide (CID 167556448) is sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide.

What is the SMILES notation for sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide?

The canonical SMILES for sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide is Brc1cnc2[nH]ccc2n1.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2cnc3[nH]cc(C(=O)C4CCC4)c3n2)CC1.CC(C)(C)OC(=O)N1CCC(Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)CC1.CC(C)(C)OC(=O)N1CCC(Nc2cnc3c(n2)c(Br)cn3COCC[Si](C)(C)C)CC1.CC(C)(C)OC(=O)N1CCC(Nc2cnc3c(n2)c(C(=O)C2CCC2)cn3COCC[Si](C)(C)C)CC1.CCOCC[Si](C)(C)C.CON(C)C(=O)C1CCC1.C[Si](C)(C)CCOCn1ccc2nc(Br)cnc21.[H-].[Na+].

What is the InChIKey of sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide?

The InChIKey is ISPLJPZTBFHGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5O4Si.C22H36BrN5O3Si.C22H37N5O3Si.C21H29N5O3.C12H18BrN3OSi.C10H20N2O2.C7H13NO2.C7H18OSi.C6H4BrN3.Na.H/c1-27(2,3)36-26(34)31-12-10-20(11-13-31)29-22-16-28-25-23(30-22)21(24(33)19-8-7-9-19)17-32(25)18-35-14-15-37(4,5)6;1-22(2,3)31-21(29)27-9-7-16(8-10-27)25-18-13-24-20-19(26-18)17(23)14-28(20)15-30-11-12-32(4,5)6;1-22(2,3)30-21(28)26-10-7-17(8-11-26)24-19-15-23-20-18(25-19)9-12-27(20)16-29-13-14-31(4,5)6;1-21(2,3)29-20(28)26-9-7-14(8-10-26)24-16-12-23-19-17(25-16)15(11-22-19)18(27)13-5-4-6-13;1-18(2,3)7-6-17-9-16-5-4-10-12(16)14-8-11(13)15-10;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-8(10-2)7(9)6-4-3-5-6;1-5-8-6-7-9(2,3)4;7-5-3-9-6-4(10-5)1-2-8-6;;/h16-17,19-20H,7-15,18H2,1-6H3,(H,29,30);13-14,16H,7-12,15H2,1-6H3,(H,25,26);9,12,15,17H,7-8,10-11,13-14,16H2,1-6H3,(H,24,25);11-14H,4-10H2,1-3H3,(H,22,23)(H,24,25);4-5,8H,6-7,9H2,1-3H3;8H,4-7,11H2,1-3H3;6H,3-5H2,1-2H3;5-7H2,1-4H3;1-3H,(H,8,9);;/q;;;;;;;;;+1;-1.

What are the key properties of sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide?

sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide has a molecular weight of 2943.54 g/mol, XLogP of 26.02, 38 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[7-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[7-(cyclobutanecarbonyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidine-1-carboxylate;2-ethoxyethyl(trimethyl)silane;hydride;N-methoxy-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 167556448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).