3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

C33H29ClF3N3O3 — CID 83274629

IUPAC3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)cc1OC
InChIInChI=1S/C33H29ClF3N3O3/c1-42-28-13-6-21(18-29(28)43-2)16-17-38-31(41)15-12-27-32(22-7-10-26(34)11-8-22)39-30-14-9-24(20-40(27)30)23-4-3-5-25(19-23)33(35,36)37/h3-11,13-14,18-20H,12,15-17H2,1-2H3,(H,38,41)
InChIKeyJPIPBRJVFODZEU-UHFFFAOYSA-N
MW608.06 g/mol
LogP7.65
Rot. Bonds10

About 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 83274629) has the molecular formula C33H29ClF3N3O3 and a molecular weight of 608.06 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID83274629
Molecular FormulaC33H29ClF3N3O3
Molecular Weight608.06 g/mol
Exact Mass607.18
IUPAC Name3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)cc1OC
InChIInChI=1S/C33H29ClF3N3O3/c1-42-28-13-6-21(18-29(28)43-2)16-17-38-31(41)15-12-27-32(22-7-10-26(34)11-8-22)39-30-14-9-24(20-40(27)30)23-4-3-5-25(19-23)33(35,36)37/h3-11,13-14,18-20H,12,15-17H2,1-2H3,(H,38,41)
InChIKeyJPIPBRJVFODZEU-UHFFFAOYSA-N
XLogP7.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.06
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 83274888
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 83289437
3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 98295538
3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 83289167
3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 83286723
3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide
CID 83288253
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 5295724
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 53036597
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118564
N-(3,4-dimethoxyphenyl)-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 83285453
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 9270126
[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83278524

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 83274629) is 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)cc1OC.
What is the InChIKey of 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is JPIPBRJVFODZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29ClF3N3O3/c1-42-28-13-6-21(18-29(28)43-2)16-17-38-31(41)15-12-27-32(22-7-10-26(34)11-8-22)39-30-14-9-24(20-40(27)30)23-4-3-5-25(19-23)33(35,36)37/h3-11,13-14,18-20H,12,15-17H2,1-2H3,(H,38,41).
What are the key properties of 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 608.06 g/mol, XLogP of 7.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 83274629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).