7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

C15H17ClN4O — CID 90283810

IUPAC7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESO=C1CCCC2CCC(c3ncc4c(Cl)nccn34)CN12
InChIInChI=1S/C15H17ClN4O/c16-14-12-8-18-15(19(12)7-6-17-14)10-4-5-11-2-1-3-13(21)20(11)9-10/h6-8,10-11H,1-5,9H2
InChIKeyLGGQXRBKBPYHHM-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.64
Rot. Bonds1

About 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (PubChem CID 90283810) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.

Molecular Properties

Compound Name7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
PubChem CID90283810
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESO=C1CCCC2CCC(c3ncc4c(Cl)nccn34)CN12
InChIInChI=1S/C15H17ClN4O/c16-14-12-8-18-15(19(12)7-6-17-14)10-4-5-11-2-1-3-13(21)20(11)9-10/h6-8,10-11H,1-5,9H2
InChIKeyLGGQXRBKBPYHHM-UHFFFAOYSA-N
XLogP2.64
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The IUPAC name of 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (CID 90283810) is 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.
What is the SMILES notation for 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The canonical SMILES for 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is O=C1CCCC2CCC(c3ncc4c(Cl)nccn34)CN12.
What is the InChIKey of 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The InChIKey is LGGQXRBKBPYHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-14-12-8-18-15(19(12)7-6-17-14)10-4-5-11-2-1-3-13(21)20(11)9-10/h6-8,10-11H,1-5,9H2.
What are the key properties of 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one has a molecular weight of 304.78 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is sourced from PubChem (CID 90283810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).