2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C17H14F3N3O2S — CID 41472000

IUPAC2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CSc1ncc2ccccn12)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H14F3N3O2S/c18-17(19,20)25-14-7-2-1-5-12(14)9-21-15(24)11-26-16-22-10-13-6-3-4-8-23(13)16/h1-8,10H,9,11H2,(H,21,24)
InChIKeyOBOPZQVTQQAJIV-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.64
Rot. Bonds6

About 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 41472000) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID41472000
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CSc1ncc2ccccn12)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H14F3N3O2S/c18-17(19,20)25-14-7-2-1-5-12(14)9-21-15(24)11-26-16-22-10-13-6-3-4-8-23(13)16/h1-8,10H,9,11H2,(H,21,24)
InChIKeyOBOPZQVTQQAJIV-UHFFFAOYSA-N
XLogP3.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 34322066
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 42124831
2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 55465992
4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 41220486
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 78829223
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 46667499
3-[4-(oxolan-2-ylmethyl)-5-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
CID 55541613
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 34789445

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 41472000) is 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is O=C(CSc1ncc2ccccn12)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is OBOPZQVTQQAJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c18-17(19,20)25-14-7-2-1-5-12(14)9-21-15(24)11-26-16-22-10-13-6-3-4-8-23(13)16/h1-8,10H,9,11H2,(H,21,24).
What are the key properties of 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 381.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 41472000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).