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

C21H22ClN5O — CID 90303823

IUPAC1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one
SMILESO=C1CNC(Cc2ccccc2)C2CCC(c3ncc4c(Cl)nccn34)CN12
InChIInChI=1S/C21H22ClN5O/c22-20-18-11-25-21(26(18)9-8-23-20)15-6-7-17-16(10-14-4-2-1-3-5-14)24-12-19(28)27(17)13-15/h1-5,8-9,11,15-17,24H,6-7,10,12-13H2
InChIKeyAGGYAGMBIYXRBM-UHFFFAOYSA-N
MW395.89 g/mol
LogP2.67
Rot. Bonds3

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

1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one (PubChem CID 90303823) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one.

Molecular Properties

Compound Name1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one
PubChem CID90303823
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one
SMILESO=C1CNC(Cc2ccccc2)C2CCC(c3ncc4c(Cl)nccn34)CN12
InChIInChI=1S/C21H22ClN5O/c22-20-18-11-25-21(26(18)9-8-23-20)15-6-7-17-16(10-14-4-2-1-3-5-14)24-12-19(28)27(17)13-15/h1-5,8-9,11,15-17,24H,6-7,10,12-13H2
InChIKeyAGGYAGMBIYXRBM-UHFFFAOYSA-N
XLogP2.67
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one?
The IUPAC name of 1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one (CID 90303823) is 1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one.
What is the SMILES notation for 1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one?
The canonical SMILES for 1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one is O=C1CNC(Cc2ccccc2)C2CCC(c3ncc4c(Cl)nccn34)CN12.
What is the InChIKey of 1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one?
The InChIKey is AGGYAGMBIYXRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c22-20-18-11-25-21(26(18)9-8-23-20)15-6-7-17-16(10-14-4-2-1-3-5-14)24-12-19(28)27(17)13-15/h1-5,8-9,11,15-17,24H,6-7,10,12-13H2.
What are the key properties of 1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one?
1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one has a molecular weight of 395.89 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-4-one is sourced from PubChem (CID 90303823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).