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

C21H22N4O2S — CID 122652338

IUPAC7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one
SMILESCOc1ccc(Cn2c(C)cn3c(C(C)c4nc(C)cs4)ncc3c2=O)cc1
InChIInChI=1S/C21H22N4O2S/c1-13-12-28-20(23-13)15(3)19-22-9-18-21(26)24(14(2)10-25(18)19)11-16-5-7-17(27-4)8-6-16/h5-10,12,15H,11H2,1-4H3
InChIKeyXRYJHUBBBIIQDO-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.78
Rot. Bonds5

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

7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652338) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one
PubChem CID122652338
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one
SMILESCOc1ccc(Cn2c(C)cn3c(C(C)c4nc(C)cs4)ncc3c2=O)cc1
InChIInChI=1S/C21H22N4O2S/c1-13-12-28-20(23-13)15(3)19-22-9-18-21(26)24(14(2)10-25(18)19)11-16-5-7-17(27-4)8-6-16/h5-10,12,15H,11H2,1-4H3
InChIKeyXRYJHUBBBIIQDO-UHFFFAOYSA-N
XLogP3.78
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one (CID 122652338) is 7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one is COc1ccc(Cn2c(C)cn3c(C(C)c4nc(C)cs4)ncc3c2=O)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one?
The InChIKey is XRYJHUBBBIIQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-13-12-28-20(23-13)15(3)19-22-9-18-21(26)24(14(2)10-25(18)19)11-16-5-7-17(27-4)8-6-16/h5-10,12,15H,11H2,1-4H3.
What are the key properties of 7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one?
7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one has a molecular weight of 394.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-6-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).