2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid

C22H15F3N2O4 — CID 135331151

IUPAC2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ccc(Oc3cccc4cncn34)cc2C(F)(F)F)c1
InChIInChI=1S/C22H15F3N2O4/c23-22(24,25)18-11-17(31-20-6-2-4-15-12-26-13-27(15)20)7-8-19(18)30-16-5-1-3-14(9-16)10-21(28)29/h1-9,11-13H,10H2,(H,28,29)
InChIKeyPDWKHIRXZXHUTD-UHFFFAOYSA-N
MW428.37 g/mol
LogP5.56
Rot. Bonds6

About 2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid

2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid (PubChem CID 135331151) has the molecular formula C22H15F3N2O4 and a molecular weight of 428.37 g/mol. Its IUPAC name is 2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
PubChem CID135331151
Molecular FormulaC22H15F3N2O4
Molecular Weight428.37 g/mol
Exact Mass428.10
IUPAC Name2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ccc(Oc3cccc4cncn34)cc2C(F)(F)F)c1
InChIInChI=1S/C22H15F3N2O4/c23-22(24,25)18-11-17(31-20-6-2-4-15-12-26-13-27(15)20)7-8-19(18)30-16-5-1-3-14(9-16)10-21(28)29/h1-9,11-13H,10H2,(H,28,29)
InChIKeyPDWKHIRXZXHUTD-UHFFFAOYSA-N
XLogP5.56
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.37
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]oxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
CID 135331481
2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
CID 142429162
2-[3-[4-[3-(oxetan-3-yl)benzimidazol-5-yl]oxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
CID 135331132
2-[3-[4-(1-methylisoquinolin-8-yl)oxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
CID 135331037
2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 163778981
methyl 2-[3-[4-hydroxy-2-(trifluoromethyl)phenoxy]phenyl]acetate
CID 135331023
N'-amino-2-[3-[4-isoquinolin-8-yloxy-2-(trifluoromethyl)phenoxy]phenyl]ethanimidamide;azane
CID 161270786
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
2-[3-(1,1-difluoro-2-methylpropoxy)phenyl]acetic acid
CID 70526950
2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 104606526
2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
CID 106704428
2-(3-fluorooxyphenyl)acetic acid
CID 69494655

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid (CID 135331151) is 2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid is O=C(O)Cc1cccc(Oc2ccc(Oc3cccc4cncn34)cc2C(F)(F)F)c1.
What is the InChIKey of 2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid?
The InChIKey is PDWKHIRXZXHUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O4/c23-22(24,25)18-11-17(31-20-6-2-4-15-12-26-13-27(15)20)7-8-19(18)30-16-5-1-3-14(9-16)10-21(28)29/h1-9,11-13H,10H2,(H,28,29).
What are the key properties of 2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid?
2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid has a molecular weight of 428.37 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-imidazo[1,5-a]pyridin-5-yloxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 135331151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).