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

C16H12F3N3O4 — CID 46865224

IUPAC3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C16H12F3N3O4/c17-16(18,19)11-5-10(9-2-4-26-8-9)6-22-7-12(21-14(11)22)15(25)20-3-1-13(23)24/h2,4-8H,1,3H2,(H,20,25)(H,23,24)
InChIKeyKDFIJCJQVYIRFL-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.82
Rot. Bonds5

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

3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 46865224) has the molecular formula C16H12F3N3O4 and a molecular weight of 367.28 g/mol. Its IUPAC name is 3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid
PubChem CID46865224
Molecular FormulaC16H12F3N3O4
Molecular Weight367.28 g/mol
Exact Mass367.08
IUPAC Name3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C16H12F3N3O4/c17-16(18,19)11-5-10(9-2-4-26-8-9)6-22-7-12(21-14(11)22)15(25)20-3-1-13(23)24/h2,4-8H,1,3H2,(H,20,25)(H,23,24)
InChIKeyKDFIJCJQVYIRFL-UHFFFAOYSA-N
XLogP2.82
TPSA96.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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 3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid (CID 46865224) is 3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is KDFIJCJQVYIRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O4/c17-16(18,19)11-5-10(9-2-4-26-8-9)6-22-7-12(21-14(11)22)15(25)20-3-1-13(23)24/h2,4-8H,1,3H2,(H,20,25)(H,23,24).
What are the key properties of 3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid?
3-[[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, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 46865224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).