(2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol

C38H54ClN3O6Si2 — CID 131743159

About (2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol

(2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol (PubChem CID 131743159) has the molecular formula C38H54ClN3O6Si2 and a molecular weight of 740.49 g/mol. Its IUPAC name is (2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol.

Molecular Properties

• Compound Name: (2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol
• PubChem CID: 131743159
• Molecular Formula: C38H54ClN3O6Si2
• Molecular Weight: 740.49 g/mol
• Exact Mass: 739.32
• IUPAC Name: (2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol
• SMILES: CC(C)(C)[Si](O)(OC[C@H]1OC[C@@H](Oc2nc3nc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3n2COCC[Si](C)(C)C)[C@@]1(C)O)C(C)(C)C
• InChI: InChI=1S/C38H54ClN3O6Si2/c1-36(2,3)50(44,37(4,5)6)47-24-31-38(7,43)32(23-46-31)48-35-41-34-30(42(35)25-45-20-21-49(8,9)10)22-29(39)33(40-34)28-18-16-27(17-19-28)26-14-12-11-13-15-26/h11-19,22,31-32,43-44H,20-21,23-25H2,1-10H3/t31-,32-,38+/m1/s1
• InChIKey: OZKCFYKCVCPDQI-NFSSQQQASA-N
• XLogP: 8.68
• TPSA: 108.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.49
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	2
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 (2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol?

The IUPAC name of (2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol (CID 131743159) is (2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol.

What is the SMILES notation for (2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol?

The canonical SMILES for (2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol is CC(C)(C)[Si](O)(OC[C@H]1OC[C@@H](Oc2nc3nc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3n2COCC[Si](C)(C)C)[C@@]1(C)O)C(C)(C)C.

What is the InChIKey of (2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol?

The InChIKey is OZKCFYKCVCPDQI-NFSSQQQASA-N. The full InChI is InChI=1S/C38H54ClN3O6Si2/c1-36(2,3)50(44,37(4,5)6)47-24-31-38(7,43)32(23-46-31)48-35-41-34-30(42(35)25-45-20-21-49(8,9)10)22-29(39)33(40-34)28-18-16-27(17-19-28)26-14-12-11-13-15-26/h11-19,22,31-32,43-44H,20-21,23-25H2,1-10H3/t31-,32-,38+/m1/s1.

What are the key properties of (2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol?

(2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol has a molecular weight of 740.49 g/mol, XLogP of 8.68, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol is sourced from PubChem (CID 131743159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).