6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C19H16F3N3O3 — CID 68745401

IUPAC6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(-c3cccc(N4CCOCC4)c3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)15-9-13(10-25-11-16(18(26)27)23-17(15)25)12-2-1-3-14(8-12)24-4-6-28-7-5-24/h1-3,8-11H,4-7H2,(H,26,27)
InChIKeyQVGYXHJVIMWBRE-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.55
Rot. Bonds3

About 6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 68745401) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID68745401
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(-c3cccc(N4CCOCC4)c3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)15-9-13(10-25-11-16(18(26)27)23-17(15)25)12-2-1-3-14(8-12)24-4-6-28-7-5-24/h1-3,8-11H,4-7H2,(H,26,27)
InChIKeyQVGYXHJVIMWBRE-UHFFFAOYSA-N
XLogP3.55
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-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 6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 68745401) is 6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1cn2cc(-c3cccc(N4CCOCC4)c3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is QVGYXHJVIMWBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-19(21,22)15-9-13(10-25-11-16(18(26)27)23-17(15)25)12-2-1-3-14(8-12)24-4-6-28-7-5-24/h1-3,8-11H,4-7H2,(H,26,27).
What are the key properties of 6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 391.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 68745401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).