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

C15H18N4O2S — CID 53346136

IUPAC2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1CNC(=O)c2cnc(-c3ccsc3)n21
InChIInChI=1S/C15H18N4O2S/c1-2-4-16-13(20)6-11-7-18-15(21)12-8-17-14(19(11)12)10-3-5-22-9-10/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,16,20)(H,18,21)
InChIKeyGQEFZRAQXYNZAS-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.81
Rot. Bonds5

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

2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide (PubChem CID 53346136) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide
PubChem CID53346136
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1CNC(=O)c2cnc(-c3ccsc3)n21
InChIInChI=1S/C15H18N4O2S/c1-2-4-16-13(20)6-11-7-18-15(21)12-8-17-14(19(11)12)10-3-5-22-9-10/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,16,20)(H,18,21)
InChIKeyGQEFZRAQXYNZAS-UHFFFAOYSA-N
XLogP1.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide?
The IUPAC name of 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide (CID 53346136) is 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide.
What is the SMILES notation for 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide?
The canonical SMILES for 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide is CCCNC(=O)CC1CNC(=O)c2cnc(-c3ccsc3)n21.
What is the InChIKey of 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide?
The InChIKey is GQEFZRAQXYNZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-2-4-16-13(20)6-11-7-18-15(21)12-8-17-14(19(11)12)10-3-5-22-9-10/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,16,20)(H,18,21).
What are the key properties of 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide?
2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide has a molecular weight of 318.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide is sourced from PubChem (CID 53346136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).