2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid

C15H10F3N3O4 — CID 46865006

IUPAC2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C15H10F3N3O4/c16-15(17,18)10-3-9(8-1-2-25-7-8)5-21-6-11(20-13(10)21)14(24)19-4-12(22)23/h1-3,5-7H,4H2,(H,19,24)(H,22,23)
InChIKeyJWYDLXYCFNMUAL-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.43
Rot. Bonds4

About 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid

2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid (PubChem CID 46865006) has the molecular formula C15H10F3N3O4 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid
PubChem CID46865006
Molecular FormulaC15H10F3N3O4
Molecular Weight353.26 g/mol
Exact Mass353.06
IUPAC Name2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C15H10F3N3O4/c16-15(17,18)10-3-9(8-1-2-25-7-8)5-21-6-11(20-13(10)21)14(24)19-4-12(22)23/h1-3,5-7H,4H2,(H,19,24)(H,22,23)
InChIKeyJWYDLXYCFNMUAL-UHFFFAOYSA-N
XLogP2.43
TPSA96.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic 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-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid (CID 46865006) is 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is JWYDLXYCFNMUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O4/c16-15(17,18)10-3-9(8-1-2-25-7-8)5-21-6-11(20-13(10)21)14(24)19-4-12(22)23/h1-3,5-7H,4H2,(H,19,24)(H,22,23).
What are the key properties of 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid?
2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 353.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 46865006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).