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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C35H51ClFN3O6Si2 — CID 140810933

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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140810933) has the molecular formula C35H51ClFN3O6Si2 and a molecular weight of 720.43 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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 140810933
• Molecular Formula: C35H51ClFN3O6Si2
• Molecular Weight: 720.43 g/mol
• Exact Mass: 719.30
• 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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1c(F)c2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2n1COCC[Si](C)(C)C
• InChI: InChI=1S/C35H51ClFN3O6Si2/c1-35(2,3)48(7,8)46-28-21-44-32-27(20-43-33(28)32)45-34-29(37)31-26(40(34)22-42-17-18-47(4,5)6)19-25(36)30(38-31)23-9-11-24(12-10-23)39-13-15-41-16-14-39/h9-12,19,27-28,32-33H,13-18,20-22H2,1-8H3/t27-,28-,32-,33-/m1/s1
• InChIKey: OGGDHFUYUOJWPN-MKXVLRRNSA-N
• XLogP: 7.58
• TPSA: 76.44 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.43
LogP ≤ 5	7.58
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,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 140810933) 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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1c(F)c2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2n1COCC[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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is OGGDHFUYUOJWPN-MKXVLRRNSA-N. The full InChI is InChI=1S/C35H51ClFN3O6Si2/c1-35(2,3)48(7,8)46-28-21-44-32-27(20-43-33(28)32)45-34-29(37)31-26(40(34)22-42-17-18-47(4,5)6)19-25(36)30(38-31)23-9-11-24(12-10-23)39-13-15-41-16-14-39/h9-12,19,27-28,32-33H,13-18,20-22H2,1-8H3/t27-,28-,32-,33-/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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 720.43 g/mol, XLogP of 7.58, 11 rotatable bonds, 0 hydrogen bond donors, and 9 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]-6-chloro-3-fluoro-5-(4-morpholin-4-ylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140810933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).