[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate

C20H19N3O4S — CID 47820356

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2nc(SC)n3ccccc23)cc1
InChIInChI=1S/C20H19N3O4S/c1-3-17(25)21-14-9-7-13(8-10-14)16(24)12-27-19(26)18-15-6-4-5-11-23(15)20(22-18)28-2/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKeyYQVACGSLTVRGDF-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.44
Rot. Bonds7

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 47820356) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID47820356
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2nc(SC)n3ccccc23)cc1
InChIInChI=1S/C20H19N3O4S/c1-3-17(25)21-14-9-7-13(8-10-14)16(24)12-27-19(26)18-15-6-4-5-11-23(15)20(22-18)28-2/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKeyYQVACGSLTVRGDF-UHFFFAOYSA-N
XLogP3.44
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 60560831
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate
CID 7477357
[(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 96534927
1-pyrazol-1-ylpropan-2-yl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 71859589
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate
CID 7829152
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
CID 7229145
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772639
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885928
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
CID 7782413
(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate
CID 1218309
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38909124

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate (CID 47820356) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate is CCC(=O)Nc1ccc(C(=O)COC(=O)c2nc(SC)n3ccccc23)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is YQVACGSLTVRGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-3-17(25)21-14-9-7-13(8-10-14)16(24)12-27-19(26)18-15-6-4-5-11-23(15)20(22-18)28-2/h4-11H,3,12H2,1-2H3,(H,21,25).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 397.46 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 47820356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).