2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium

C29H40BClN3O7Si+ — CID 163821889

About 2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium

2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium (PubChem CID 163821889) has the molecular formula C29H40BClN3O7Si+ and a molecular weight of 617.00 g/mol. Its IUPAC name is 2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium.

Molecular Properties

• Compound Name: 2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium
• PubChem CID: 163821889
• Molecular Formula: C29H40BClN3O7Si+
• Molecular Weight: 617.00 g/mol
• Exact Mass: 616.24
• IUPAC Name: 2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium
• SMILES: C[SiH2+](C)CCOCn1c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)nc2cc(Cl)c(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc21
• InChI: InChI=1S/C29H40BClN3O7Si/c1-28(2)29(3,4)41-30(40-28)18-9-7-17(8-10-18)23-19(31)13-20-26(33-23)34(16-36-11-12-42(5)6)27(32-20)39-22-15-38-24-21(35)14-37-25(22)24/h7-10,13,21-22,24-25,35H,11-12,14-16,42H2,1-6H3/q+1/t21-,22-,24-,25-/m1/s1
• InChIKey: WKJKEOMMVIGSOX-WMMXXEOUSA-N
• XLogP: 3.15
• TPSA: 106.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.00
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium?

The IUPAC name of 2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium (CID 163821889) is 2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium.

What is the SMILES notation for 2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium?

The canonical SMILES for 2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium is C[SiH2+](C)CCOCn1c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)nc2cc(Cl)c(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc21.

What is the InChIKey of 2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium?

The InChIKey is WKJKEOMMVIGSOX-WMMXXEOUSA-N. The full InChI is InChI=1S/C29H40BClN3O7Si/c1-28(2)29(3,4)41-30(40-28)18-9-7-17(8-10-18)23-19(31)13-20-26(33-23)34(16-36-11-12-42(5)6)27(32-20)39-22-15-38-24-21(35)14-37-25(22)24/h7-10,13,21-22,24-25,35H,11-12,14-16,42H2,1-6H3/q+1/t21-,22-,24-,25-/m1/s1.

What are the key properties of 2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium?

2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium has a molecular weight of 617.00 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium is sourced from PubChem (CID 163821889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).