[(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol

C25H20F3N3O3 — CID 157094450

About [(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol

[(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol (PubChem CID 157094450) has the molecular formula C25H20F3N3O3 and a molecular weight of 467.45 g/mol. Its IUPAC name is [(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol.

Molecular Properties

• Compound Name: [(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol
• PubChem CID: 157094450
• Molecular Formula: C25H20F3N3O3
• Molecular Weight: 467.45 g/mol
• Exact Mass: 467.15
• IUPAC Name: [(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol
• SMILES: C=Cc1ccc(-c2ccc(-c3nc4nc(O[C@@H]5CO[C@H](CO)C5(F)F)[nH]c4cc3F)cc2)cc1
• InChI: InChI=1S/C25H20F3N3O3/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)22-18(26)11-19-23(30-22)31-24(29-19)34-21-13-33-20(12-32)25(21,27)28/h2-11,20-21,32H,1,12-13H2,(H,29,30,31)/t20-,21-/m1/s1
• InChIKey: BJVGIGUMPNGSIZ-NHCUHLMSSA-N
• XLogP: 4.85
• TPSA: 80.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.45
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol?

The IUPAC name of [(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol (CID 157094450) is [(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol.

What is the SMILES notation for [(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol?

The canonical SMILES for [(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol is C=Cc1ccc(-c2ccc(-c3nc4nc(O[C@@H]5CO[C@H](CO)C5(F)F)[nH]c4cc3F)cc2)cc1.

What is the InChIKey of [(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol?

The InChIKey is BJVGIGUMPNGSIZ-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H20F3N3O3/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)22-18(26)11-19-23(30-22)31-24(29-19)34-21-13-33-20(12-32)25(21,27)28/h2-11,20-21,32H,1,12-13H2,(H,29,30,31)/t20-,21-/m1/s1.

What are the key properties of [(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol?

[(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol has a molecular weight of 467.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol is sourced from PubChem (CID 157094450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).