2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane

C24H39Cl2N3O5Si2 — CID 140941573

About 2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane

2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140941573) has the molecular formula C24H39Cl2N3O5Si2 and a molecular weight of 576.67 g/mol. Its IUPAC name is 2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 140941573
• Molecular Formula: C24H39Cl2N3O5Si2
• Molecular Weight: 576.67 g/mol
• Exact Mass: 575.18
• IUPAC Name: 2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2cc(Cl)c(Cl)nc2n1COCC[Si](C)(C)C
• InChI: InChI=1S/C24H39Cl2N3O5Si2/c1-24(2,3)36(7,8)34-18-13-32-19-17(12-31-20(18)19)33-23-27-16-11-15(25)21(26)28-22(16)29(23)14-30-9-10-35(4,5)6/h11,17-20H,9-10,12-14H2,1-8H3/t17-,18-,19-,20-/m1/s1
• InChIKey: UZPNDLDYNDZXQY-UAFMIMERSA-N
• XLogP: 5.99
• TPSA: 76.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.67
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane (CID 140941573) is 2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2cc(Cl)c(Cl)nc2n1COCC[Si](C)(C)C.

What is the InChIKey of 2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is UZPNDLDYNDZXQY-UAFMIMERSA-N. The full InChI is InChI=1S/C24H39Cl2N3O5Si2/c1-24(2,3)36(7,8)34-18-13-32-19-17(12-31-20(18)19)33-23-27-16-11-15(25)21(26)28-22(16)29(23)14-30-9-10-35(4,5)6/h11,17-20H,9-10,12-14H2,1-8H3/t17-,18-,19-,20-/m1/s1.

What are the key properties of 2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 576.67 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5,6-dichloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140941573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).