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

C21H15F4N3O2 — CID 46864431

IUPAC2-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C21H15F4N3O2/c22-16-3-1-2-13(6-16)7-19(29)26-9-17-11-28-10-15(14-4-5-30-12-14)8-18(20(28)27-17)21(23,24)25/h1-6,8,10-12H,7,9H2,(H,26,29)
InChIKeyXHQBEENQUZBFDZ-UHFFFAOYSA-N
MW417.36 g/mol
LogP4.61
Rot. Bonds5

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

2-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide (PubChem CID 46864431) has the molecular formula C21H15F4N3O2 and a molecular weight of 417.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide
PubChem CID46864431
Molecular FormulaC21H15F4N3O2
Molecular Weight417.36 g/mol
Exact Mass417.11
IUPAC Name2-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C21H15F4N3O2/c22-16-3-1-2-13(6-16)7-19(29)26-9-17-11-28-10-15(14-4-5-30-12-14)8-18(20(28)27-17)21(23,24)25/h1-6,8,10-12H,7,9H2,(H,26,29)
InChIKeyXHQBEENQUZBFDZ-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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Related Compounds

4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-cyclopropyloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283326
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-fluoroimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902757
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77106864
3-(1-(3-(1H-Imidazol-1-yl)propyl)-1H-indol-3-yl)-4-(furo[2,3-b]pyridin-3-yl)-1H-pyrrole-2,5-dione (5n)
CID 118704643
N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134143817
7-(2-fluorobenzyl)-4-(2-furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 9904688
2-[2-(4-fluorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025783
N-(2,6-dimethylbenzyl)-6-(furan-2-yl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
CID 24890348
1-[1-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 46870989
N-(3-(3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880227
N-[3-(3-acetylphenyl)-6-[2-methoxy-phenyl)imidazo [1,2-a]pyridin-8-yl]acetamide
CID 49789743
4-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one
CID 51356732

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide (CID 46864431) is 2-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide is O=C(Cc1cccc(F)c1)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide?
The InChIKey is XHQBEENQUZBFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O2/c22-16-3-1-2-13(6-16)7-19(29)26-9-17-11-28-10-15(14-4-5-30-12-14)8-18(20(28)27-17)21(23,24)25/h1-6,8,10-12H,7,9H2,(H,26,29).
What are the key properties of 2-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide?
2-(3-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-(3-fluorophenyl)-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]acetamide is sourced from PubChem (CID 46864431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).