3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide

C23H23ClF3N3O — CID 3450646

IUPAC3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC(c1cccc(C(F)(F)F)c1)c1cnc2ccc(Cl)cn12)NC1CCCCC1
InChIInChI=1S/C23H23ClF3N3O/c24-17-9-10-21-28-13-20(30(21)14-17)19(12-22(31)29-18-7-2-1-3-8-18)15-5-4-6-16(11-15)23(25,26)27/h4-6,9-11,13-14,18-19H,1-3,7-8,12H2,(H,29,31)
InChIKeyIUEYFSUVJJKNKK-UHFFFAOYSA-N
MW449.90 g/mol
LogP5.98
Rot. Bonds5

About 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 3450646) has the molecular formula C23H23ClF3N3O and a molecular weight of 449.90 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID3450646
Molecular FormulaC23H23ClF3N3O
Molecular Weight449.90 g/mol
Exact Mass449.15
IUPAC Name3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC(c1cccc(C(F)(F)F)c1)c1cnc2ccc(Cl)cn12)NC1CCCCC1
InChIInChI=1S/C23H23ClF3N3O/c24-17-9-10-21-28-13-20(30(21)14-17)19(12-22(31)29-18-7-2-1-3-8-18)15-5-4-6-16(11-15)23(25,26)27/h4-6,9-11,13-14,18-19H,1-3,7-8,12H2,(H,29,31)
InChIKeyIUEYFSUVJJKNKK-UHFFFAOYSA-N
XLogP5.98
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.90
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4571894
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 4568629
N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4197390
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 42783664
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 4611202
N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4160925
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 166691579
N-cyclohexyl-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4145383
1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
CID 4227777
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 4206782
3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide
CID 2952080
3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropylpropanamide
CID 83289107

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide (CID 3450646) is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide is O=C(CC(c1cccc(C(F)(F)F)c1)c1cnc2ccc(Cl)cn12)NC1CCCCC1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IUEYFSUVJJKNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O/c24-17-9-10-21-28-13-20(30(21)14-17)19(12-22(31)29-18-7-2-1-3-8-18)15-5-4-6-16(11-15)23(25,26)27/h4-6,9-11,13-14,18-19H,1-3,7-8,12H2,(H,29,31).
What are the key properties of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide?
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 449.90 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 3450646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).