3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid

C23H23F3N2O3 — CID 146663400

IUPAC3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESO=C(O)CCc1cn2cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C23H23F3N2O3/c24-23(25,26)20-11-15(5-8-19(20)16-3-1-2-4-16)14-31-18-7-9-21-27-17(6-10-22(29)30)12-28(21)13-18/h5,7-9,11-13,16H,1-4,6,10,14H2,(H,29,30)
InChIKeyHJVZNVLXKMCGCK-UHFFFAOYSA-N
MW432.44 g/mol
LogP5.61
Rot. Bonds7

About 3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid

3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid (PubChem CID 146663400) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid
PubChem CID146663400
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESO=C(O)CCc1cn2cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C23H23F3N2O3/c24-23(25,26)20-11-15(5-8-19(20)16-3-1-2-4-16)14-31-18-7-9-21-27-17(6-10-22(29)30)12-28(21)13-18/h5,7-9,11-13,16H,1-4,6,10,14H2,(H,29,30)
InChIKeyHJVZNVLXKMCGCK-UHFFFAOYSA-N
XLogP5.61
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid (CID 146663400) is 3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid is O=C(O)CCc1cn2cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc2n1.
What is the InChIKey of 3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The InChIKey is HJVZNVLXKMCGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c24-23(25,26)20-11-15(5-8-19(20)16-3-1-2-4-16)14-31-18-7-9-21-27-17(6-10-22(29)30)12-28(21)13-18/h5,7-9,11-13,16H,1-4,6,10,14H2,(H,29,30).
What are the key properties of 3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid has a molecular weight of 432.44 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 146663400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).