5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid

C31H23F3N4O6 — CID 118235616

IUPAC5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cn3c(Cc4ccccc4OC(F)F)c(COc4cccc(N5CCOC5=O)c4)nc3cc2F)cn1
InChIInChI=1S/C31H23F3N4O6/c32-23-14-28-36-25(17-43-21-6-3-5-20(13-21)37-10-11-42-31(37)41)26(12-18-4-1-2-7-27(18)44-30(33)34)38(28)16-22(23)19-8-9-24(29(39)40)35-15-19/h1-9,13-16,30H,10-12,17H2,(H,39,40)
InChIKeyVOOUHFHMAHVICB-UHFFFAOYSA-N
MW604.54 g/mol
LogP5.96
Rot. Bonds10

About 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid

5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid (PubChem CID 118235616) has the molecular formula C31H23F3N4O6 and a molecular weight of 604.54 g/mol. Its IUPAC name is 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid
PubChem CID118235616
Molecular FormulaC31H23F3N4O6
Molecular Weight604.54 g/mol
Exact Mass604.16
IUPAC Name5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cn3c(Cc4ccccc4OC(F)F)c(COc4cccc(N5CCOC5=O)c4)nc3cc2F)cn1
InChIInChI=1S/C31H23F3N4O6/c32-23-14-28-36-25(17-43-21-6-3-5-20(13-21)37-10-11-42-31(37)41)26(12-18-4-1-2-7-27(18)44-30(33)34)38(28)16-22(23)19-8-9-24(29(39)40)35-15-19/h1-9,13-16,30H,10-12,17H2,(H,39,40)
InChIKeyVOOUHFHMAHVICB-UHFFFAOYSA-N
XLogP5.96
TPSA115.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.54
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid (CID 118235616) is 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2cn3c(Cc4ccccc4OC(F)F)c(COc4cccc(N5CCOC5=O)c4)nc3cc2F)cn1.
What is the InChIKey of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid?
The InChIKey is VOOUHFHMAHVICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N4O6/c32-23-14-28-36-25(17-43-21-6-3-5-20(13-21)37-10-11-42-31(37)41)26(12-18-4-1-2-7-27(18)44-30(33)34)38(28)16-22(23)19-8-9-24(29(39)40)35-15-19/h1-9,13-16,30H,10-12,17H2,(H,39,40).
What are the key properties of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid?
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid has a molecular weight of 604.54 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 118235616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).