N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide

C20H16F3N3O2S — CID 59443941

IUPACN-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C20H16F3N3O2S/c21-20(22,23)17-8-14(13-4-6-28-12-13)10-26-11-15(25-19(17)26)3-5-24-18(27)9-16-2-1-7-29-16/h1-2,4,6-8,10-12H,3,5,9H2,(H,24,27)
InChIKeyCJFPLMAPHHECBT-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.58
Rot. Bonds6

About N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide

N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 59443941) has the molecular formula C20H16F3N3O2S and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide
PubChem CID59443941
Molecular FormulaC20H16F3N3O2S
Molecular Weight419.43 g/mol
Exact Mass419.09
IUPAC NameN-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C20H16F3N3O2S/c21-20(22,23)17-8-14(13-4-6-28-12-13)10-26-11-15(25-19(17)26)3-5-24-18(27)9-16-2-1-7-29-16/h1-2,4,6-8,10-12H,3,5,9H2,(H,24,27)
InChIKeyCJFPLMAPHHECBT-UHFFFAOYSA-N
XLogP4.58
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide (CID 59443941) is N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1.
What is the InChIKey of N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is CJFPLMAPHHECBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2S/c21-20(22,23)17-8-14(13-4-6-28-12-13)10-26-11-15(25-19(17)26)3-5-24-18(27)9-16-2-1-7-29-16/h1-2,4,6-8,10-12H,3,5,9H2,(H,24,27).
What are the key properties of N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 419.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 59443941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).