6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

C20H23N3O2 — CID 122652209

IUPAC6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1ccccc1Cn1c(C)cn2c(C3CCOCC3)ncc2c1=O
InChIInChI=1S/C20H23N3O2/c1-14-5-3-4-6-17(14)13-22-15(2)12-23-18(20(22)24)11-21-19(23)16-7-9-25-10-8-16/h3-6,11-12,16H,7-10,13H2,1-2H3
InChIKeyICFZMMURQAUHKS-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.06
Rot. Bonds3

About 6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652209) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652209
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1ccccc1Cn1c(C)cn2c(C3CCOCC3)ncc2c1=O
InChIInChI=1S/C20H23N3O2/c1-14-5-3-4-6-17(14)13-22-15(2)12-23-18(20(22)24)11-21-19(23)16-7-9-25-10-8-16/h3-6,11-12,16H,7-10,13H2,1-2H3
InChIKeyICFZMMURQAUHKS-UHFFFAOYSA-N
XLogP3.06
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652209) is 6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is Cc1ccccc1Cn1c(C)cn2c(C3CCOCC3)ncc2c1=O.
What is the InChIKey of 6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is ICFZMMURQAUHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-5-3-4-6-17(14)13-22-15(2)12-23-18(20(22)24)11-21-19(23)16-7-9-25-10-8-16/h3-6,11-12,16H,7-10,13H2,1-2H3.
What are the key properties of 6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 337.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[(2-methylphenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).