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

C16H12F3N3O4 — CID 46865004

IUPACmethyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C16H12F3N3O4/c1-25-13(23)5-20-15(24)12-7-22-6-10(9-2-3-26-8-9)4-11(14(22)21-12)16(17,18)19/h2-4,6-8H,5H2,1H3,(H,20,24)
InChIKeyCPRYXAOBJRHNGC-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.52
Rot. Bonds4

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

methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate (PubChem CID 46865004) has the molecular formula C16H12F3N3O4 and a molecular weight of 367.28 g/mol. Its IUPAC name is methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate
PubChem CID46865004
Molecular FormulaC16H12F3N3O4
Molecular Weight367.28 g/mol
Exact Mass367.08
IUPAC Namemethyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C16H12F3N3O4/c1-25-13(23)5-20-15(24)12-7-22-6-10(9-2-3-26-8-9)4-11(14(22)21-12)16(17,18)19/h2-4,6-8H,5H2,1H3,(H,20,24)
InChIKeyCPRYXAOBJRHNGC-UHFFFAOYSA-N
XLogP2.52
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate (CID 46865004) is methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1.
What is the InChIKey of methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate?
The InChIKey is CPRYXAOBJRHNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O4/c1-25-13(23)5-20-15(24)12-7-22-6-10(9-2-3-26-8-9)4-11(14(22)21-12)16(17,18)19/h2-4,6-8H,5H2,1H3,(H,20,24).
What are the key properties of methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate?
methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate has a molecular weight of 367.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 46865004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).