2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide

C18H16F3N3O2 — CID 119056741

IUPAC2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc(CCNC(=O)C(F)(F)F)n3ccccc23)cc1
InChIInChI=1S/C18H16F3N3O2/c1-26-13-7-5-12(6-8-13)16-14-4-2-3-11-24(14)15(23-16)9-10-22-17(25)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,25)
InChIKeyXFWFFMINQYZTIS-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.23
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide (PubChem CID 119056741) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide
PubChem CID119056741
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc(CCNC(=O)C(F)(F)F)n3ccccc23)cc1
InChIInChI=1S/C18H16F3N3O2/c1-26-13-7-5-12(6-8-13)16-14-4-2-3-11-24(14)15(23-16)9-10-22-17(25)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,25)
InChIKeyXFWFFMINQYZTIS-UHFFFAOYSA-N
XLogP3.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]ethyl]carbamate
CID 11742008
1-phenyl-3-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)ethyl]imidazo[1,5-a]pyridine
CID 132506858
methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984091
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
2-(4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 27161874
2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 101098567
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067421
2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide
CID 22292772
1-(4-methoxyphenyl)-3-phenylsulfanylimidazo[1,5-a]pyridine
CID 175478070
N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide
CID 53465746

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide (CID 119056741) is 2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide is COc1ccc(-c2nc(CCNC(=O)C(F)(F)F)n3ccccc23)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide?
The InChIKey is XFWFFMINQYZTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-26-13-7-5-12(6-8-13)16-14-4-2-3-11-24(14)15(23-16)9-10-22-17(25)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,25).
What are the key properties of 2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide has a molecular weight of 363.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide is sourced from PubChem (CID 119056741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).