ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate

C18H18N2O2S — CID 70169705

IUPACethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate
SMILESCCOC(=O)Cc1nc(SCc2ccccc2)c2ccccn12
InChIInChI=1S/C18H18N2O2S/c1-2-22-17(21)12-16-19-18(15-10-6-7-11-20(15)16)23-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyVISISNBZTJVSPC-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.73
Rot. Bonds6

About ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate

ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate (PubChem CID 70169705) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate
PubChem CID70169705
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Nameethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate
SMILESCCOC(=O)Cc1nc(SCc2ccccc2)c2ccccn12
InChIInChI=1S/C18H18N2O2S/c1-2-22-17(21)12-16-19-18(15-10-6-7-11-20(15)16)23-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyVISISNBZTJVSPC-UHFFFAOYSA-N
XLogP3.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-benzylsulfanylimidazol-1-yl)acetate
CID 122714791
ethyl 2-phenylacetate
CID 7590
ethyl 2-[10-(2-ethoxy-2-oxoethyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]acetate
CID 4065674
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-(3-benzylsulfanylindol-1-yl)acetate
CID 43949304
ethyl 2-[4-benzyl-5-[(4-cyanophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]acetate
CID 40742465
ethyl 2-imidazo[1,5-a]pyridin-1-ylacetate
CID 71222577
ethyl 2-[5-(benzylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 141463340
ethyl 4-[2-(2-benzylsulfanyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperazine-1-carboxylate
CID 136616116
2-(3-ethylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797830
ethyl 2-[6-[(4-methylphenyl)methylsulfanyl]-2-pyridinyl]acetate
CID 71242758
2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253360

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate?
The IUPAC name of ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate (CID 70169705) is ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate is CCOC(=O)Cc1nc(SCc2ccccc2)c2ccccn12.
What is the InChIKey of ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate?
The InChIKey is VISISNBZTJVSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-22-17(21)12-16-19-18(15-10-6-7-11-20(15)16)23-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3.
What are the key properties of ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate?
ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate has a molecular weight of 326.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate is sourced from PubChem (CID 70169705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).