3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one

C17H21N3O3 — CID 174354566

IUPAC3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
SMILESCOc1ccc(CN2CCn3c(CCO)nc(C)c3C2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-12-16-17(22)19(8-9-20(16)15(18-12)7-10-21)11-13-3-5-14(23-2)6-4-13/h3-6,21H,7-11H2,1-2H3
InChIKeyMALIJWQDGQDXFP-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.39
Rot. Bonds5

About 3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one

3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one (PubChem CID 174354566) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
PubChem CID174354566
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
SMILESCOc1ccc(CN2CCn3c(CCO)nc(C)c3C2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-12-16-17(22)19(8-9-20(16)15(18-12)7-10-21)11-13-3-5-14(23-2)6-4-13/h3-6,21H,7-11H2,1-2H3
InChIKeyMALIJWQDGQDXFP-UHFFFAOYSA-N
XLogP1.39
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one (CID 174354566) is 3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one is COc1ccc(CN2CCn3c(CCO)nc(C)c3C2=O)cc1.
What is the InChIKey of 3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
The InChIKey is MALIJWQDGQDXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-16-17(22)19(8-9-20(16)15(18-12)7-10-21)11-13-3-5-14(23-2)6-4-13/h3-6,21H,7-11H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one has a molecular weight of 315.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 174354566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).