3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

C23H17ClF3N3O — CID 53036596

IUPAC3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H17ClF3N3O/c24-16-10-8-15(9-11-16)22-19(30-14-4-3-7-20(30)29-22)12-13-21(31)28-18-6-2-1-5-17(18)23(25,26)27/h1-11,14H,12-13H2,(H,28,31)
InChIKeyLIGYRMBWNHTXPU-UHFFFAOYSA-N
MW443.86 g/mol
LogP6.24
Rot. Bonds5

About 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 53036596) has the molecular formula C23H17ClF3N3O and a molecular weight of 443.86 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID53036596
Molecular FormulaC23H17ClF3N3O
Molecular Weight443.86 g/mol
Exact Mass443.10
IUPAC Name3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H17ClF3N3O/c24-16-10-8-15(9-11-16)22-19(30-14-4-3-7-20(30)29-22)12-13-21(31)28-18-6-2-1-5-17(18)23(25,26)27/h1-11,14H,12-13H2,(H,28,31)
InChIKeyLIGYRMBWNHTXPU-UHFFFAOYSA-N
XLogP6.24
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.86
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-fluorophenyl)propanamide
CID 20974346
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 53036597
N-(5-chloro-2-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036573
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53036623
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53036640
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 95056650
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 53036628
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide
CID 53118621
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 53118584
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19220927
4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 70025253

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 53036596) is 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn12)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LIGYRMBWNHTXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O/c24-16-10-8-15(9-11-16)22-19(30-14-4-3-7-20(30)29-22)12-13-21(31)28-18-6-2-1-5-17(18)23(25,26)27/h1-11,14H,12-13H2,(H,28,31).
What are the key properties of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 443.86 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 53036596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).