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

C21H22F3N3O2 — CID 42782144

IUPACN-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOCCNC(=O)CC(c1cccc(C(F)(F)F)c1)c1cnc2cccc(C)n12
InChIInChI=1S/C21H22F3N3O2/c1-14-5-3-8-19-26-13-18(27(14)19)17(12-20(28)25-9-10-29-2)15-6-4-7-16(11-15)21(22,23)24/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,25,28)
InChIKeyWGSYKQNHJJBMSW-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.95
Rot. Bonds7

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

N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 42782144) has the molecular formula C21H22F3N3O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID42782144
Molecular FormulaC21H22F3N3O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC NameN-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOCCNC(=O)CC(c1cccc(C(F)(F)F)c1)c1cnc2cccc(C)n12
InChIInChI=1S/C21H22F3N3O2/c1-14-5-3-8-19-26-13-18(27(14)19)17(12-20(28)25-9-10-29-2)15-6-4-7-16(11-15)21(22,23)24/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,25,28)
InChIKeyWGSYKQNHJJBMSW-UHFFFAOYSA-N
XLogP3.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4075487
N-ethoxy-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 42782151
N-(3,4-dimethylphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 5047855
(3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane
CID 160866666
3-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42784164
N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4302468
N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4197390
3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
CID 42879881
N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4160925
N-(2-methoxyethyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83287622
N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 3418425
N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 5050639

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (CID 42782144) is N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is COCCNC(=O)CC(c1cccc(C(F)(F)F)c1)c1cnc2cccc(C)n12.
What is the InChIKey of N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WGSYKQNHJJBMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O2/c1-14-5-3-8-19-26-13-18(27(14)19)17(12-20(28)25-9-10-29-2)15-6-4-7-16(11-15)21(22,23)24/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,25,28).
What are the key properties of N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 405.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42782144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).