2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C34H41F3N4O5SSi — CID 158706647

About 2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 158706647) has the molecular formula C34H41F3N4O5SSi and a molecular weight of 702.87 g/mol. Its IUPAC name is 2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 158706647
• Molecular Formula: C34H41F3N4O5SSi
• Molecular Weight: 702.87 g/mol
• Exact Mass: 702.25
• IUPAC Name: 2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CC[C@H]1OC[C@@H](Oc2nc3nc(-c4ccc(-c5ccc(N=S6(=O)CCOCC6)cc5)cc4)c(F)cc3n2COCC[Si](C)(C)C)C1(F)F
• InChI: InChI=1S/C34H41F3N4O5SSi/c1-5-29-34(36,37)30(21-45-29)46-33-39-32-28(41(33)22-44-16-19-48(2,3)4)20-27(35)31(38-32)25-8-6-23(7-9-25)24-10-12-26(13-11-24)40-47(42)17-14-43-15-18-47/h6-13,20,29-30H,5,14-19,21-22H2,1-4H3/t29-,30-/m1/s1
• InChIKey: IGTYZGNXIBVQLY-LOYHVIPDSA-N
• XLogP: 7.54
• TPSA: 97.06 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.87
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 158706647) is 2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CC[C@H]1OC[C@@H](Oc2nc3nc(-c4ccc(-c5ccc(N=S6(=O)CCOCC6)cc5)cc4)c(F)cc3n2COCC[Si](C)(C)C)C1(F)F.

What is the InChIKey of 2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is IGTYZGNXIBVQLY-LOYHVIPDSA-N. The full InChI is InChI=1S/C34H41F3N4O5SSi/c1-5-29-34(36,37)30(21-45-29)46-33-39-32-28(41(33)22-44-16-19-48(2,3)4)20-27(35)31(38-32)25-8-6-23(7-9-25)24-10-12-26(13-11-24)40-47(42)17-14-43-15-18-47/h6-13,20,29-30H,5,14-19,21-22H2,1-4H3/t29-,30-/m1/s1.

What are the key properties of 2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 702.87 g/mol, XLogP of 7.54, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-5-[4-[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]phenyl]phenyl]imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158706647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).