benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane

C52H68N10O4Si2 — CID 159327811

About benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane

benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane (PubChem CID 159327811) has the molecular formula C52H68N10O4Si2 and a molecular weight of 953.35 g/mol. Its IUPAC name is benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane
• PubChem CID: 159327811
• Molecular Formula: C52H68N10O4Si2
• Molecular Weight: 953.35 g/mol
• Exact Mass: 952.50
• IUPAC Name: benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane
• SMILES: C[Si](C)(C)CCOCn1ccc2nc(-c3cccnc3C[C@@H]3CCN(C(=O)OCc4ccccc4)C3)cnc21.C[Si](C)(C)CCOCn1ccc2nc(-c3cccnc3C[C@@H]3CCNC3)cnc21
• InChI: InChI=1S/C30H37N5O3Si.C22H31N5OSi/c1-39(2,3)17-16-37-22-35-15-12-26-29(35)32-19-28(33-26)25-10-7-13-31-27(25)18-24-11-14-34(20-24)30(36)38-21-23-8-5-4-6-9-23;1-29(2,3)12-11-28-16-27-10-7-19-22(27)25-15-21(26-19)18-5-4-8-24-20(18)13-17-6-9-23-14-17/h4-10,12-13,15,19,24H,11,14,16-18,20-22H2,1-3H3;4-5,7-8,10,15,17,23H,6,9,11-14,16H2,1-3H3/t24-;17-/m00/s1
• InChIKey: LEOYNCBXXVGJID-OGGACVMKSA-N
• XLogP: 9.96
• TPSA: 147.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	953.35
LogP ≤ 5	9.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

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 benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane?

The IUPAC name of benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane (CID 159327811) is benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane.

What is the SMILES notation for benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane?

The canonical SMILES for benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ccc2nc(-c3cccnc3C[C@@H]3CCN(C(=O)OCc4ccccc4)C3)cnc21.C[Si](C)(C)CCOCn1ccc2nc(-c3cccnc3C[C@@H]3CCNC3)cnc21.

What is the InChIKey of benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane?

The InChIKey is LEOYNCBXXVGJID-OGGACVMKSA-N. The full InChI is InChI=1S/C30H37N5O3Si.C22H31N5OSi/c1-39(2,3)17-16-37-22-35-15-12-26-29(35)32-19-28(33-26)25-10-7-13-31-27(25)18-24-11-14-34(20-24)30(36)38-21-23-8-5-4-6-9-23;1-29(2,3)12-11-28-16-27-10-7-19-22(27)25-15-21(26-19)18-5-4-8-24-20(18)13-17-6-9-23-14-17/h4-10,12-13,15,19,24H,11,14,16-18,20-22H2,1-3H3;4-5,7-8,10,15,17,23H,6,9,11-14,16H2,1-3H3/t24-;17-/m00/s1.

What are the key properties of benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane?

benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane has a molecular weight of 953.35 g/mol, XLogP of 9.96, 18 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (3S)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate;trimethyl-[2-[[2-[2-[[(3S)-pyrrolidin-3-yl]methyl]-3-pyridinyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl]silane is sourced from PubChem (CID 159327811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).