2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid

C17H13F3N2O3 — CID 70510815

IUPAC2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1C(=O)O
InChIInChI=1S/C17H13F3N2O3/c1-10-14(16(23)24)22-8-2-3-13(15(22)21-10)25-9-11-4-6-12(7-5-11)17(18,19)20/h2-8H,9H2,1H3,(H,23,24)
InChIKeyANQYFVMFCWUBCS-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.94
Rot. Bonds4

About 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid

2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 70510815) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID70510815
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1C(=O)O
InChIInChI=1S/C17H13F3N2O3/c1-10-14(16(23)24)22-8-2-3-13(15(22)21-10)25-9-11-4-6-12(7-5-11)17(18,19)20/h2-8H,9H2,1H3,(H,23,24)
InChIKeyANQYFVMFCWUBCS-UHFFFAOYSA-N
XLogP3.94
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic 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-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 70510815) is 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1C(=O)O.
What is the InChIKey of 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is ANQYFVMFCWUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-10-14(16(23)24)22-8-2-3-13(15(22)21-10)25-9-11-4-6-12(7-5-11)17(18,19)20/h2-8H,9H2,1H3,(H,23,24).
What are the key properties of 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 350.30 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 70510815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).