2-[[5-[4-(4-azidocyclohexyl)phenyl]-2-[[6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane

C36H53ClN6O5Si2 — CID 123490928

About 2-[[5-[4-(4-azidocyclohexyl)phenyl]-2-[[6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane

2-[[5-[4-(4-azidocyclohexyl)phenyl]-2-[[6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane (PubChem CID 123490928) has the molecular formula C36H53ClN6O5Si2 and a molecular weight of 741.48 g/mol. Its IUPAC name is 2-[[5-[4-(4-azidocyclohexyl)phenyl]-2-[[6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[5-[4-(4-azidocyclohexyl)phenyl]-2-[[6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 123490928
• Molecular Formula: C36H53ClN6O5Si2
• Molecular Weight: 741.48 g/mol
• Exact Mass: 740.33
• IUPAC Name: 2-[[5-[4-(4-azidocyclohexyl)phenyl]-2-[[6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC1COC2C(Oc3nc4cc(Cl)c(-c5ccc(C6CCC(N=[N+]=[N-])CC6)cc5)nc4n3COCC[Si](C)(C)C)COC12
• InChI: InChI=1S/C36H53ClN6O5Si2/c1-36(2,3)50(7,8)48-30-21-46-32-29(20-45-33(30)32)47-35-39-28-19-27(37)31(40-34(28)43(35)22-44-17-18-49(4,5)6)25-11-9-23(10-12-25)24-13-15-26(16-14-24)41-42-38/h9-12,19,24,26,29-30,32-33H,13-18,20-22H2,1-8H3
• InChIKey: GUCGCAXJNXFFNU-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 125.62 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.48
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(4-azidocyclohexyl)phenyl]-2-[[6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[5-[4-(4-azidocyclohexyl)phenyl]-2-[[6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane (CID 123490928) is 2-[[5-[4-(4-azidocyclohexyl)phenyl]-2-[[6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane.

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

The canonical SMILES for 2-[[5-[4-(4-azidocyclohexyl)phenyl]-2-[[6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane is CC(C)(C)[Si](C)(C)OC1COC2C(Oc3nc4cc(Cl)c(-c5ccc(C6CCC(N=[N+]=[N-])CC6)cc5)nc4n3COCC[Si](C)(C)C)COC12.

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

The InChIKey is GUCGCAXJNXFFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H53ClN6O5Si2/c1-36(2,3)50(7,8)48-30-21-46-32-29(20-45-33(30)32)47-35-39-28-19-27(37)31(40-34(28)43(35)22-44-17-18-49(4,5)6)25-11-9-23(10-12-25)24-13-15-26(16-14-24)41-42-38/h9-12,19,24,26,29-30,32-33H,13-18,20-22H2,1-8H3.

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

2-[[5-[4-(4-azidocyclohexyl)phenyl]-2-[[6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 741.48 g/mol, XLogP of 9.34, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[4-(4-azidocyclohexyl)phenyl]-2-[[6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 123490928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).