5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid

C43H50F3N9O3S2Si — CID 160565864

About 5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid

5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid (PubChem CID 160565864) has the molecular formula C43H50F3N9O3S2Si and a molecular weight of 890.15 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid
• PubChem CID: 160565864
• Molecular Formula: C43H50F3N9O3S2Si
• Molecular Weight: 890.15 g/mol
• Exact Mass: 889.32
• IUPAC Name: 5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(C)n2nc(CCC3=NC(c4cccs4)=CC3)nc2c1.Cc1cc(C)n2nc(CCc3nc(-c4cccs4)cn3COCC[Si](C)(C)C)nc2c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H31N5OSSi.C18H18N4S.C2HF3O2/c1-17-13-18(2)28-23(14-17)25-21(26-28)8-9-22-24-19(20-7-6-11-30-20)15-27(22)16-29-10-12-31(3,4)5;1-12-10-13(2)22-18(11-12)20-17(21-22)8-6-14-5-7-15(19-14)16-4-3-9-23-16;3-2(4,5)1(6)7/h6-7,11,13-15H,8-10,12,16H2,1-5H3;3-4,7,9-11H,5-6,8H2,1-2H3;(H,6,7)
• InChIKey: OJTRSVSSKIFZFM-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 137.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	890.15
LogP ≤ 5	10.23
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 5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid?

The IUPAC name of 5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid (CID 160565864) is 5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid is Cc1cc(C)n2nc(CCC3=NC(c4cccs4)=CC3)nc2c1.Cc1cc(C)n2nc(CCc3nc(-c4cccs4)cn3COCC[Si](C)(C)C)nc2c1.O=C(O)C(F)(F)F.

What is the InChIKey of 5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid?

The InChIKey is OJTRSVSSKIFZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5OSSi.C18H18N4S.C2HF3O2/c1-17-13-18(2)28-23(14-17)25-21(26-28)8-9-22-24-19(20-7-6-11-30-20)15-27(22)16-29-10-12-31(3,4)5;1-12-10-13(2)22-18(11-12)20-17(21-22)8-6-14-5-7-15(19-14)16-4-3-9-23-16;3-2(4,5)1(6)7/h6-7,11,13-15H,8-10,12,16H2,1-5H3;3-4,7,9-11H,5-6,8H2,1-2H3;(H,6,7).

What are the key properties of 5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid?

5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid has a molecular weight of 890.15 g/mol, XLogP of 10.23, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-2-[2-(5-thiophen-2-yl-3H-pyrrol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160565864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).