2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid

C22H13F3N2O4 — CID 122529843

IUPAC2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid
SMILESO=C(O)c1cc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)ccc1O
InChIInChI=1S/C22H13F3N2O4/c23-22(24,25)15-6-2-1-5-13(15)19(29)20-26-18(16-7-3-4-10-27(16)20)12-8-9-17(28)14(11-12)21(30)31/h1-11,28H,(H,30,31)
InChIKeyCWVLEYMBYHXEIB-UHFFFAOYSA-N
MW426.35 g/mol
LogP4.65
Rot. Bonds4

About 2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid

2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid (PubChem CID 122529843) has the molecular formula C22H13F3N2O4 and a molecular weight of 426.35 g/mol. Its IUPAC name is 2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid
PubChem CID122529843
Molecular FormulaC22H13F3N2O4
Molecular Weight426.35 g/mol
Exact Mass426.08
IUPAC Name2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid
SMILESO=C(O)c1cc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)ccc1O
InChIInChI=1S/C22H13F3N2O4/c23-22(24,25)15-6-2-1-5-13(15)19(29)20-26-18(16-7-3-4-10-27(16)20)12-8-9-17(28)14(11-12)21(30)31/h1-11,28H,(H,30,31)
InChIKeyCWVLEYMBYHXEIB-UHFFFAOYSA-N
XLogP4.65
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid (CID 122529843) is 2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid is O=C(O)c1cc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)ccc1O.
What is the InChIKey of 2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The InChIKey is CWVLEYMBYHXEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N2O4/c23-22(24,25)15-6-2-1-5-13(15)19(29)20-26-18(16-7-3-4-10-27(16)20)12-8-9-17(28)14(11-12)21(30)31/h1-11,28H,(H,30,31).
What are the key properties of 2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid?
2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid has a molecular weight of 426.35 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid is sourced from PubChem (CID 122529843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).