7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

C19H27N3O2 — CID 122652213

IUPAC7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1CC1CCCCC1
InChIInChI=1S/C19H27N3O2/c1-14-12-22-17(11-20-18(22)16-7-9-24-10-8-16)19(23)21(14)13-15-5-3-2-4-6-15/h11-12,15-16H,2-10,13H2,1H3
InChIKeyXQZACXVVNPRUIZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.28
Rot. Bonds3

About 7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652213) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652213
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1CC1CCCCC1
InChIInChI=1S/C19H27N3O2/c1-14-12-22-17(11-20-18(22)16-7-9-24-10-8-16)19(23)21(14)13-15-5-3-2-4-6-15/h11-12,15-16H,2-10,13H2,1H3
InChIKeyXQZACXVVNPRUIZ-UHFFFAOYSA-N
XLogP3.28
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652213) is 7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOCC3)ncc2c(=O)n1CC1CCCCC1.
What is the InChIKey of 7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is XQZACXVVNPRUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-12-22-17(11-20-18(22)16-7-9-24-10-8-16)19(23)21(14)13-15-5-3-2-4-6-15/h11-12,15-16H,2-10,13H2,1H3.
What are the key properties of 7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 329.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).