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

C23H17ClF3N3O — CID 53036597

IUPAC3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn12)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17ClF3N3O/c24-17-9-7-15(8-10-17)22-19(30-13-2-1-6-20(30)29-22)11-12-21(31)28-18-5-3-4-16(14-18)23(25,26)27/h1-10,13-14H,11-12H2,(H,28,31)
InChIKeyYDZULRMITKVHMR-UHFFFAOYSA-N
MW443.86 g/mol
LogP6.24
Rot. Bonds5

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

3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 53036597) 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-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID53036597
Molecular FormulaC23H17ClF3N3O
Molecular Weight443.86 g/mol
Exact Mass443.10
IUPAC Name3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn12)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17ClF3N3O/c24-17-9-7-15(8-10-17)22-19(30-13-2-1-6-20(30)29-22)11-12-21(31)28-18-5-3-4-16(14-18)23(25,26)27/h1-10,13-14H,11-12H2,(H,28,31)
InChIKeyYDZULRMITKVHMR-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-(trifluoromethyl)phenyl]propanamide
CID 53036596
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-fluorophenyl)propanamide
CID 20974346
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-fluorophenyl)propanamide
CID 53036649
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610
3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 83286723
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53036640
N-(5-chloro-2-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036573
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropylpropanamide
CID 83289107
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53036623
3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 83278541
3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 98295538

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 53036597) is 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn12)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YDZULRMITKVHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O/c24-17-9-7-15(8-10-17)22-19(30-13-2-1-6-20(30)29-22)11-12-21(31)28-18-5-3-4-16(14-18)23(25,26)27/h1-10,13-14H,11-12H2,(H,28,31).
What are the key properties of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(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-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 53036597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).