4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide

C66H102N10O7SSi4 — CID 160634780

About 4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide

4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide (PubChem CID 160634780) has the molecular formula C66H102N10O7SSi4 and a molecular weight of 1292.02 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide.

Molecular Properties

• Compound Name: 4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide
• PubChem CID: 160634780
• Molecular Formula: C66H102N10O7SSi4
• Molecular Weight: 1292.02 g/mol
• Exact Mass: 1290.67
• IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide
• SMILES: COc1ccc2c(c1)c(-c1cc3nc(CNC(=O)CCCO[Si](C)(C)C(C)(C)C)cnc3n1COCC[Si](C)(C)C)cn2C.COc1ccc2c(c1)c(-c1cc3nc(CNC(=S)CCCO[Si](C)(C)C(C)(C)C)cnc3n1COCC[Si](C)(C)C)cn2C
• InChI: InChI=1S/C33H51N5O4Si2.C33H51N5O3SSi2/c1-33(2,3)44(9,10)42-15-11-12-31(39)34-20-24-21-35-32-28(36-24)19-30(38(32)23-41-16-17-43(6,7)8)27-22-37(4)29-14-13-25(40-5)18-26(27)29;1-33(2,3)44(9,10)41-15-11-12-31(42)34-20-24-21-35-32-28(36-24)19-30(38(32)23-40-16-17-43(6,7)8)27-22-37(4)29-14-13-25(39-5)18-26(27)29/h13-14,18-19,21-22H,11-12,15-17,20,23H2,1-10H3,(H,34,39);13-14,18-19,21-22H,11-12,15-17,20,23H2,1-10H3,(H,34,42)
• InChIKey: RIJXVKBMZBMHJF-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 167.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1292.02
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide?

The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide (CID 160634780) is 4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide.

What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide?

The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide is COc1ccc2c(c1)c(-c1cc3nc(CNC(=O)CCCO[Si](C)(C)C(C)(C)C)cnc3n1COCC[Si](C)(C)C)cn2C.COc1ccc2c(c1)c(-c1cc3nc(CNC(=S)CCCO[Si](C)(C)C(C)(C)C)cnc3n1COCC[Si](C)(C)C)cn2C.

What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide?

The InChIKey is RIJXVKBMZBMHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N5O4Si2.C33H51N5O3SSi2/c1-33(2,3)44(9,10)42-15-11-12-31(39)34-20-24-21-35-32-28(36-24)19-30(38(32)23-41-16-17-43(6,7)8)27-22-37(4)29-14-13-25(40-5)18-26(27)29;1-33(2,3)44(9,10)41-15-11-12-31(42)34-20-24-21-35-32-28(36-24)19-30(38(32)23-40-16-17-43(6,7)8)27-22-37(4)29-14-13-25(39-5)18-26(27)29/h13-14,18-19,21-22H,11-12,15-17,20,23H2,1-10H3,(H,34,39);13-14,18-19,21-22H,11-12,15-17,20,23H2,1-10H3,(H,34,42).

What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide?

4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide has a molecular weight of 1292.02 g/mol, XLogP of 15.46, 28 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanamide;4-[tert-butyl(dimethyl)silyl]oxy-N-[[6-(5-methoxy-1-methylindol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]butanethioamide is sourced from PubChem (CID 160634780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).