sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride

C49H66Cl2N15NaO4Si2 — CID 158312260

About sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride

sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride (PubChem CID 158312260) has the molecular formula C49H66Cl2N15NaO4Si2 and a molecular weight of 1079.24 g/mol. Its IUPAC name is sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride.

Molecular Properties

• Compound Name: sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride
• PubChem CID: 158312260
• Molecular Formula: C49H66Cl2N15NaO4Si2
• Molecular Weight: 1079.24 g/mol
• Exact Mass: 1077.42
• IUPAC Name: sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride
• SMILES: CCC1CC(O)CC1c1nnc2cnc3c(ccn3COCC[Si](C)(C)C)n12.CCC1CC(Oc2cnc(C#N)cn2)CC1c1nnc2cnc3c(ccn3COCC[Si](C)(C)C)n12.Clc1cnc(Cl)cn1.[H-].[Na+]
• InChI: InChI=1S/C25H32N8O2Si.C20H31N5O2Si.C4H2Cl2N2.Na.H/c1-5-17-10-19(35-23-15-27-18(12-26)13-28-23)11-20(17)24-31-30-22-14-29-25-21(33(22)24)6-7-32(25)16-34-8-9-36(2,3)4;1-5-14-10-15(26)11-16(14)19-23-22-18-12-21-20-17(25(18)19)6-7-24(20)13-27-8-9-28(2,3)4;5-3-1-7-4(6)2-8-3;;/h6-7,13-15,17,19-20H,5,8-11,16H2,1-4H3;6-7,12,14-16,26H,5,8-11,13H2,1-4H3;1-2H;;/q;;;+1;-1
• InChIKey: LVWUZMMFGBZAQN-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 219.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1079.24
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

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 sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride?

The IUPAC name of sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride (CID 158312260) is sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride.

What is the SMILES notation for sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride?

The canonical SMILES for sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride is CCC1CC(O)CC1c1nnc2cnc3c(ccn3COCC[Si](C)(C)C)n12.CCC1CC(Oc2cnc(C#N)cn2)CC1c1nnc2cnc3c(ccn3COCC[Si](C)(C)C)n12.Clc1cnc(Cl)cn1.[H-].[Na+].

What is the InChIKey of sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride?

The InChIKey is LVWUZMMFGBZAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2Si.C20H31N5O2Si.C4H2Cl2N2.Na.H/c1-5-17-10-19(35-23-15-27-18(12-26)13-28-23)11-20(17)24-31-30-22-14-29-25-21(33(22)24)6-7-32(25)16-34-8-9-36(2,3)4;1-5-14-10-15(26)11-16(14)19-23-22-18-12-21-20-17(25(18)19)6-7-24(20)13-27-8-9-28(2,3)4;5-3-1-7-4(6)2-8-3;;/h6-7,13-15,17,19-20H,5,8-11,16H2,1-4H3;6-7,12,14-16,26H,5,8-11,13H2,1-4H3;1-2H;;/q;;;+1;-1.

What are the key properties of sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride?

sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride has a molecular weight of 1079.24 g/mol, XLogP of 6.96, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2,5-dichloropyrazine;3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-ol;5-[3-ethyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]oxypyrazine-2-carbonitrile;hydride is sourced from PubChem (CID 158312260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).