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

C22H16F3N3O4 — CID 46865117

IUPAC2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C22H16F3N3O4/c23-22(24,25)16-9-15(14-6-7-32-12-14)10-28-11-18(26-19(16)28)20(29)27-17(21(30)31)8-13-4-2-1-3-5-13/h1-7,9-12,17H,8H2,(H,27,29)(H,30,31)
InChIKeyMEIJGFFFABAKML-UHFFFAOYSA-N
MW443.38 g/mol
LogP4.04
Rot. Bonds6

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

2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid (PubChem CID 46865117) has the molecular formula C22H16F3N3O4 and a molecular weight of 443.38 g/mol. Its IUPAC name is 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid
PubChem CID46865117
Molecular FormulaC22H16F3N3O4
Molecular Weight443.38 g/mol
Exact Mass443.11
IUPAC Name2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C22H16F3N3O4/c23-22(24,25)16-9-15(14-6-7-32-12-14)10-28-11-18(26-19(16)28)20(29)27-17(21(30)31)8-13-4-2-1-3-5-13/h1-7,9-12,17H,8H2,(H,27,29)(H,30,31)
InChIKeyMEIJGFFFABAKML-UHFFFAOYSA-N
XLogP4.04
TPSA96.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 54.04
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]-3-phenylpropanoic acid?
The IUPAC name of 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid (CID 46865117) is 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid is O=C(NC(Cc1ccccc1)C(=O)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]-3-phenylpropanoic acid?
The InChIKey is MEIJGFFFABAKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O4/c23-22(24,25)16-9-15(14-6-7-32-12-14)10-28-11-18(26-19(16)28)20(29)27-17(21(30)31)8-13-4-2-1-3-5-13/h1-7,9-12,17H,8H2,(H,27,29)(H,30,31).
What are the key properties of 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid?
2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid has a molecular weight of 443.38 g/mol, XLogP of 4.04, 6 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]-3-phenylpropanoic acid is sourced from PubChem (CID 46865117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).