2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone

C21H15F3N4O2S — CID 59443867

IUPAC2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone
SMILESO=C(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)N1CC=C(c2nccs2)C1
InChIInChI=1S/C21H15F3N4O2S/c22-21(23,24)17-7-15(14-2-5-30-12-14)10-28-11-16(26-19(17)28)8-18(29)27-4-1-13(9-27)20-25-3-6-31-20/h1-3,5-7,10-12H,4,8-9H2
InChIKeyNURRSEHEIOHBDJ-UHFFFAOYSA-N
MW444.44 g/mol
LogP4.54
Rot. Bonds4

About 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone

2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone (PubChem CID 59443867) has the molecular formula C21H15F3N4O2S and a molecular weight of 444.44 g/mol. Its IUPAC name is 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone.

Molecular Properties

Compound Name2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone
PubChem CID59443867
Molecular FormulaC21H15F3N4O2S
Molecular Weight444.44 g/mol
Exact Mass444.09
IUPAC Name2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone
SMILESO=C(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)N1CC=C(c2nccs2)C1
InChIInChI=1S/C21H15F3N4O2S/c22-21(23,24)17-7-15(14-2-5-30-12-14)10-28-11-16(26-19(17)28)8-18(29)27-4-1-13(9-27)20-25-3-6-31-20/h1-3,5-7,10-12H,4,8-9H2
InChIKeyNURRSEHEIOHBDJ-UHFFFAOYSA-N
XLogP4.54
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone?
The IUPAC name of 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone (CID 59443867) is 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone.
What is the SMILES notation for 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone?
The canonical SMILES for 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone is O=C(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)N1CC=C(c2nccs2)C1.
What is the InChIKey of 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone?
The InChIKey is NURRSEHEIOHBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2S/c22-21(23,24)17-7-15(14-2-5-30-12-14)10-28-11-16(26-19(17)28)8-18(29)27-4-1-13(9-27)20-25-3-6-31-20/h1-3,5-7,10-12H,4,8-9H2.
What are the key properties of 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone?
2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone has a molecular weight of 444.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]ethanone is sourced from PubChem (CID 59443867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).