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

C16H12F3N3O4 — CID 46865007

IUPAC2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)C(=O)O
InChIInChI=1S/C16H12F3N3O4/c1-8(15(24)25)20-14(23)12-6-22-5-10(9-2-3-26-7-9)4-11(13(22)21-12)16(17,18)19/h2-8H,1H3,(H,20,23)(H,24,25)
InChIKeySGMSTOMQQQUSGL-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.82
Rot. Bonds4

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

2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 46865007) has the molecular formula C16H12F3N3O4 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid
PubChem CID46865007
Molecular FormulaC16H12F3N3O4
Molecular Weight367.28 g/mol
Exact Mass367.08
IUPAC Name2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)C(=O)O
InChIInChI=1S/C16H12F3N3O4/c1-8(15(24)25)20-14(23)12-6-22-5-10(9-2-3-26-7-9)4-11(13(22)21-12)16(17,18)19/h2-8H,1H3,(H,20,23)(H,24,25)
InChIKeySGMSTOMQQQUSGL-UHFFFAOYSA-N
XLogP2.82
TPSA96.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid (CID 46865007) is 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid is CC(NC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)C(=O)O.
What is the InChIKey of 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is SGMSTOMQQQUSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O4/c1-8(15(24)25)20-14(23)12-6-22-5-10(9-2-3-26-7-9)4-11(13(22)21-12)16(17,18)19/h2-8H,1H3,(H,20,23)(H,24,25).
What are the key properties of 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid?
2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 367.28 g/mol, XLogP of 2.82, 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]propanoic acid is sourced from PubChem (CID 46865007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).