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

C26H24F3N3O — CID 5047855

IUPACN-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(NC(=O)CC(c2cccc(C(F)(F)F)c2)c2cnc3cccc(C)n23)cc1C
InChIInChI=1S/C26H24F3N3O/c1-16-10-11-21(12-17(16)2)31-25(33)14-22(19-7-5-8-20(13-19)26(27,28)29)23-15-30-24-9-4-6-18(3)32(23)24/h4-13,15,22H,14H2,1-3H3,(H,31,33)
InChIKeyCFINTZAVVAOXTN-UHFFFAOYSA-N
MW451.49 g/mol
LogP6.44
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 5047855) has the molecular formula C26H24F3N3O and a molecular weight of 451.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID5047855
Molecular FormulaC26H24F3N3O
Molecular Weight451.49 g/mol
Exact Mass451.19
IUPAC NameN-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(NC(=O)CC(c2cccc(C(F)(F)F)c2)c2cnc3cccc(C)n23)cc1C
InChIInChI=1S/C26H24F3N3O/c1-16-10-11-21(12-17(16)2)31-25(33)14-22(19-7-5-8-20(13-19)26(27,28)29)23-15-30-24-9-4-6-18(3)32(23)24/h4-13,15,22H,14H2,1-3H3,(H,31,33)
InChIKeyCFINTZAVVAOXTN-UHFFFAOYSA-N
XLogP6.44
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.49
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 3418425
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-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4075487
N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4302468
3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
CID 42879881
N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4197390
N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4160925
N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 5050639
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)propanamide
CID 3570179
N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5050636
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 3450646

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (CID 5047855) is N-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is Cc1ccc(NC(=O)CC(c2cccc(C(F)(F)F)c2)c2cnc3cccc(C)n23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CFINTZAVVAOXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O/c1-16-10-11-21(12-17(16)2)31-25(33)14-22(19-7-5-8-20(13-19)26(27,28)29)23-15-30-24-9-4-6-18(3)32(23)24/h4-13,15,22H,14H2,1-3H3,(H,31,33).
What are the key properties of N-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
N-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 451.49 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 5047855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).