2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide

C21H15F4N3O2 — CID 46864465

IUPAC2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1F)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C21H15F4N3O2/c22-18-4-2-1-3-13(18)8-19(29)26-9-16-11-28-10-15(14-5-6-30-12-14)7-17(20(28)27-16)21(23,24)25/h1-7,10-12H,8-9H2,(H,26,29)
InChIKeyPTMRLBITOJPZSO-UHFFFAOYSA-N
MW417.36 g/mol
LogP4.61
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide

2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide (PubChem CID 46864465) has the molecular formula C21H15F4N3O2 and a molecular weight of 417.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide
PubChem CID46864465
Molecular FormulaC21H15F4N3O2
Molecular Weight417.36 g/mol
Exact Mass417.11
IUPAC Name2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1F)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C21H15F4N3O2/c22-18-4-2-1-3-13(18)8-19(29)26-9-16-11-28-10-15(14-5-6-30-12-14)7-17(20(28)27-16)21(23,24)25/h1-7,10-12H,8-9H2,(H,26,29)
InChIKeyPTMRLBITOJPZSO-UHFFFAOYSA-N
XLogP4.61
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide (CID 46864465) is 2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide is O=C(Cc1ccccc1F)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide?
The InChIKey is PTMRLBITOJPZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O2/c22-18-4-2-1-3-13(18)8-19(29)26-9-16-11-28-10-15(14-5-6-30-12-14)7-17(20(28)27-16)21(23,24)25/h1-7,10-12H,8-9H2,(H,26,29).
What are the key properties of 2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide?
2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide has a molecular weight of 417.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide is sourced from PubChem (CID 46864465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).