2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C38H52ClN3O5Si2 — CID 141398619

About 2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 141398619) has the molecular formula C38H52ClN3O5Si2 and a molecular weight of 722.48 g/mol. Its IUPAC name is 2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 141398619
• Molecular Formula: C38H52ClN3O5Si2
• Molecular Weight: 722.48 g/mol
• Exact Mass: 721.31
• IUPAC Name: 2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H]2C(CCOc3nc4nc(-c5ccc(-c6ccccc6)cc5)c(Cl)cc4n3COCC[Si](C)(C)C)CO[C@@H]21
• InChI: InChI=1S/C38H52ClN3O5Si2/c1-38(2,3)49(7,8)47-32-24-46-34-29(23-45-35(32)34)18-19-44-37-41-36-31(42(37)25-43-20-21-48(4,5)6)22-30(39)33(40-36)28-16-14-27(15-17-28)26-12-10-9-11-13-26/h9-17,22,29,32,34-35H,18-21,23-25H2,1-8H3/t29?,32-,34-,35-/m1/s1
• InChIKey: ZLYMHLAZUIVKHO-YNAFETARSA-N
• XLogP: 9.30
• TPSA: 76.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.48
LogP ≤ 5	9.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 141398619) is 2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H]2C(CCOc3nc4nc(-c5ccc(-c6ccccc6)cc5)c(Cl)cc4n3COCC[Si](C)(C)C)CO[C@@H]21.

What is the InChIKey of 2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is ZLYMHLAZUIVKHO-YNAFETARSA-N. The full InChI is InChI=1S/C38H52ClN3O5Si2/c1-38(2,3)49(7,8)47-32-24-46-34-29(23-45-35(32)34)18-19-44-37-41-36-31(42(37)25-43-20-21-48(4,5)6)22-30(39)33(40-36)28-16-14-27(15-17-28)26-12-10-9-11-13-26/h9-17,22,29,32,34-35H,18-21,23-25H2,1-8H3/t29?,32-,34-,35-/m1/s1.

What are the key properties of 2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 722.48 g/mol, XLogP of 9.30, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 141398619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).