ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate

C14H15N3O3S — CID 53346134

IUPACethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate
SMILESCCOC(=O)CC1CNC(=O)c2cnc(-c3ccsc3)n21
InChIInChI=1S/C14H15N3O3S/c1-2-20-12(18)5-10-6-16-14(19)11-7-15-13(17(10)11)9-3-4-21-8-9/h3-4,7-8,10H,2,5-6H2,1H3,(H,16,19)
InChIKeyIADRSYWMABPLRA-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate

ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate (PubChem CID 53346134) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate
PubChem CID53346134
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Nameethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate
SMILESCCOC(=O)CC1CNC(=O)c2cnc(-c3ccsc3)n21
InChIInChI=1S/C14H15N3O3S/c1-2-20-12(18)5-10-6-16-14(19)11-7-15-13(17(10)11)9-3-4-21-8-9/h3-4,7-8,10H,2,5-6H2,1H3,(H,16,19)
InChIKeyIADRSYWMABPLRA-UHFFFAOYSA-N
XLogP1.85
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate?
The IUPAC name of ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate (CID 53346134) is ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate?
The canonical SMILES for ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate is CCOC(=O)CC1CNC(=O)c2cnc(-c3ccsc3)n21.
What is the InChIKey of ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate?
The InChIKey is IADRSYWMABPLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-2-20-12(18)5-10-6-16-14(19)11-7-15-13(17(10)11)9-3-4-21-8-9/h3-4,7-8,10H,2,5-6H2,1H3,(H,16,19).
What are the key properties of ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate?
ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate has a molecular weight of 305.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate is sourced from PubChem (CID 53346134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).