[(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane

C128H160Br4F4N16O20S4Si4 — CID 161125316

About [(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane

[(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane (PubChem CID 161125316) has the molecular formula C128H160Br4F4N16O20S4Si4 and a molecular weight of 2879.00 g/mol. Its IUPAC name is [(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane
• PubChem CID: 161125316
• Molecular Formula: C128H160Br4F4N16O20S4Si4
• Molecular Weight: 2879.00 g/mol
• Exact Mass: 2872.66
• IUPAC Name: [(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane
• SMILES: COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c2ccc(Br)cc2F)nnc1-c1cncc(C)c1.COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)c2ccc(Br)cc2F)nnc1-c1cncc(C)c1.COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c2ccc(Br)cc2F)nnc1-c1cncc(C)c1.COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)c2ccc(Br)cc2F)nnc1-c1cncc(C)c1
• InChI: InChI=1S/4C32H40BrFN4O5SSi/c4*1-20-15-22(18-35-17-20)31-37-36-28(38(31)29-26(41-6)11-10-12-27(29)42-7)19-44(39,40)21(2)30(43-45(8,9)32(3,4)5)24-14-13-23(33)16-25(24)34/h4*10-18,21,30H,19H2,1-9H3/t2*21-,30+;2*21-,30-/m1010/s1
• InChIKey: ULMINSKJWWPZKJ-FHKYZRSMSA-N
• XLogP: 30.49
• TPSA: 421.72 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 44
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2879.00
LogP ≤ 5	30.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane (CID 161125316) is [(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane is COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c2ccc(Br)cc2F)nnc1-c1cncc(C)c1.COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)c2ccc(Br)cc2F)nnc1-c1cncc(C)c1.COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c2ccc(Br)cc2F)nnc1-c1cncc(C)c1.COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)c2ccc(Br)cc2F)nnc1-c1cncc(C)c1.

What is the InChIKey of [(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane?

The InChIKey is ULMINSKJWWPZKJ-FHKYZRSMSA-N. The full InChI is InChI=1S/4C32H40BrFN4O5SSi/c4*1-20-15-22(18-35-17-20)31-37-36-28(38(31)29-26(41-6)11-10-12-27(29)42-7)19-44(39,40)21(2)30(43-45(8,9)32(3,4)5)24-14-13-23(33)16-25(24)34/h4*10-18,21,30H,19H2,1-9H3/t2*21-,30+;2*21-,30-/m1010/s1.

What are the key properties of [(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane?

[(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane has a molecular weight of 2879.00 g/mol, XLogP of 30.49, 44 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1S,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2R)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane;[(1R,2S)-1-(4-bromo-2-fluorophenyl)-2-[[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 161125316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).