ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate

C54H66N8O7Si — CID 158013202

About ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate

ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate (PubChem CID 158013202) has the molecular formula C54H66N8O7Si and a molecular weight of 967.26 g/mol. Its IUPAC name is ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate
• PubChem CID: 158013202
• Molecular Formula: C54H66N8O7Si
• Molecular Weight: 967.26 g/mol
• Exact Mass: 966.48
• IUPAC Name: ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate
• SMILES: CCOC(=O)c1cccc(C2=C(c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)CCC2)n1.CCOC(=O)c1cccc(C2CCC=C2c2cnc3c(n2)c(C(=O)C(C)(C)C)cn3COCC[Si](C)(C)C)n1
• InChI: InChI=1S/C30H40N4O4Si.C24H26N4O3/c1-8-38-29(36)24-14-10-13-23(32-24)20-11-9-12-21(20)25-17-31-28-26(33-25)22(27(35)30(2,3)4)18-34(28)19-37-15-16-39(5,6)7;1-5-31-23(30)18-11-7-10-17(27-18)14-8-6-9-15(14)19-13-26-22-20(28-19)16(12-25-22)21(29)24(2,3)4/h10,12-14,17-18,20H,8-9,11,15-16,19H2,1-7H3;7,10-13H,5-6,8-9H2,1-4H3,(H,25,26)
• InChIKey: FFDMWOCHBQZQHW-UHFFFAOYSA-N
• XLogP: 11.36
• TPSA: 194.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.26
LogP ≤ 5	11.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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 ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate?

The IUPAC name of ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate (CID 158013202) is ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate.

What is the SMILES notation for ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate?

The canonical SMILES for ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate is CCOC(=O)c1cccc(C2=C(c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)CCC2)n1.CCOC(=O)c1cccc(C2CCC=C2c2cnc3c(n2)c(C(=O)C(C)(C)C)cn3COCC[Si](C)(C)C)n1.

What is the InChIKey of ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate?

The InChIKey is FFDMWOCHBQZQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O4Si.C24H26N4O3/c1-8-38-29(36)24-14-10-13-23(32-24)20-11-9-12-21(20)25-17-31-28-26(33-25)22(27(35)30(2,3)4)18-34(28)19-37-15-16-39(5,6)7;1-5-31-23(30)18-11-7-10-17(27-18)14-8-6-9-15(14)19-13-26-22-20(28-19)16(12-25-22)21(29)24(2,3)4/h10,12-14,17-18,20H,8-9,11,15-16,19H2,1-7H3;7,10-13H,5-6,8-9H2,1-4H3,(H,25,26).

What are the key properties of ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate?

ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate has a molecular weight of 967.26 g/mol, XLogP of 11.36, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate;ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]cyclopent-2-en-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 158013202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).