3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H12ClF6N3O2 — CID 25190166

IUPAC3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C21H12ClF6N3O2/c22-17-16(19(32)29-9-11-4-1-2-5-13(11)20(23,24)25)30-18-14(21(26,27)28)8-12(10-31(17)18)15-6-3-7-33-15/h1-8,10H,9H2,(H,29,32)
InChIKeyMMTAEGKAWIHNDW-UHFFFAOYSA-N
MW487.79 g/mol
LogP6.22
Rot. Bonds4

About 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25190166) has the molecular formula C21H12ClF6N3O2 and a molecular weight of 487.79 g/mol. Its IUPAC name is 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25190166
Molecular FormulaC21H12ClF6N3O2
Molecular Weight487.79 g/mol
Exact Mass487.05
IUPAC Name3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C21H12ClF6N3O2/c22-17-16(19(32)29-9-11-4-1-2-5-13(11)20(23,24)25)30-18-14(21(26,27)28)8-12(10-31(17)18)15-6-3-7-33-15/h1-8,10H,9H2,(H,29,32)
InChIKeyMMTAEGKAWIHNDW-UHFFFAOYSA-N
XLogP6.22
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.79
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-thiophen-2-yl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25190107
3-chloro-6-(furan-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25189938
5-(furan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 39854407
3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25190106
3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine
CID 160653860
3-chloro-6-thiophen-3-yl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25189991
[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol
CID 162600803
3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid
CID 140539148
5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91632820
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
CID 7711373
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 25190166) is 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is MMTAEGKAWIHNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF6N3O2/c22-17-16(19(32)29-9-11-4-1-2-5-13(11)20(23,24)25)30-18-14(21(26,27)28)8-12(10-31(17)18)15-6-3-7-33-15/h1-8,10H,9H2,(H,29,32).
What are the key properties of 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 487.79 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25190166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).