N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

C28H28F3N3O3 — CID 4075487

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(CCNC(=O)CC(c2cccc(C(F)(F)F)c2)c2cnc3cccc(C)n23)cc1OC
InChIInChI=1S/C28H28F3N3O3/c1-18-6-4-9-26-33-17-23(34(18)26)22(20-7-5-8-21(15-20)28(29,30)31)16-27(35)32-13-12-19-10-11-24(36-2)25(14-19)37-3/h4-11,14-15,17,22H,12-13,16H2,1-3H3,(H,32,35)
InChIKeySAHCJNONULGMGI-UHFFFAOYSA-N
MW511.54 g/mol
LogP5.56
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 4075487) has the molecular formula C28H28F3N3O3 and a molecular weight of 511.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID4075487
Molecular FormulaC28H28F3N3O3
Molecular Weight511.54 g/mol
Exact Mass511.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(CCNC(=O)CC(c2cccc(C(F)(F)F)c2)c2cnc3cccc(C)n23)cc1OC
InChIInChI=1S/C28H28F3N3O3/c1-18-6-4-9-26-33-17-23(34(18)26)22(20-7-5-8-21(15-20)28(29,30)31)16-27(35)32-13-12-19-10-11-24(36-2)25(14-19)37-3/h4-11,14-15,17,22H,12-13,16H2,1-3H3,(H,32,35)
InChIKeySAHCJNONULGMGI-UHFFFAOYSA-N
XLogP5.56
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.54
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 42782144
N-ethoxy-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 42782151
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
CID 42782043
N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4160925
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 5295724
N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4197390
N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 3418425
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5072076
3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
CID 42879881
(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122545
3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide
CID 52514675
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110297293

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (CID 4075487) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is COc1ccc(CCNC(=O)CC(c2cccc(C(F)(F)F)c2)c2cnc3cccc(C)n23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SAHCJNONULGMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O3/c1-18-6-4-9-26-33-17-23(34(18)26)22(20-7-5-8-21(15-20)28(29,30)31)16-27(35)32-13-12-19-10-11-24(36-2)25(14-19)37-3/h4-11,14-15,17,22H,12-13,16H2,1-3H3,(H,32,35).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 511.54 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 4075487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).