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

C21H25N3O2 — CID 122652447

IUPAC7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCCc1ccccc1Cn1c(C)cn2c(C3CCOCC3)ncc2c1=O
InChIInChI=1S/C21H25N3O2/c1-3-16-6-4-5-7-18(16)14-23-15(2)13-24-19(21(23)25)12-22-20(24)17-8-10-26-11-9-17/h4-7,12-13,17H,3,8-11,14H2,1-2H3
InChIKeyHLXDXKMIVTXPEU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.31
Rot. Bonds4

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

7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652447) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652447
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCCc1ccccc1Cn1c(C)cn2c(C3CCOCC3)ncc2c1=O
InChIInChI=1S/C21H25N3O2/c1-3-16-6-4-5-7-18(16)14-23-15(2)13-24-19(21(23)25)12-22-20(24)17-8-10-26-11-9-17/h4-7,12-13,17H,3,8-11,14H2,1-2H3
InChIKeyHLXDXKMIVTXPEU-UHFFFAOYSA-N
XLogP3.31
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652447) is 7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is CCc1ccccc1Cn1c(C)cn2c(C3CCOCC3)ncc2c1=O.
What is the InChIKey of 7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is HLXDXKMIVTXPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-16-6-4-5-7-18(16)14-23-15(2)13-24-19(21(23)25)12-22-20(24)17-8-10-26-11-9-17/h4-7,12-13,17H,3,8-11,14H2,1-2H3.
What are the key properties of 7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 351.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-ethylphenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).