2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid

C15H15N3O6 — CID 162716808

IUPAC2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid
SMILESCOc1ccc(-n2c(C(=O)O)c3n(c2=O)CCN(C(=O)O)C3)cc1
InChIInChI=1S/C15H15N3O6/c1-24-10-4-2-9(3-5-10)18-12(13(19)20)11-8-16(15(22)23)6-7-17(11)14(18)21/h2-5H,6-8H2,1H3,(H,19,20)(H,22,23)
InChIKeyLADNEYLCSJIUNW-UHFFFAOYSA-N
MW333.30 g/mol
LogP0.84
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid

2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid (PubChem CID 162716808) has the molecular formula C15H15N3O6 and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid
PubChem CID162716808
Molecular FormulaC15H15N3O6
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid
SMILESCOc1ccc(-n2c(C(=O)O)c3n(c2=O)CCN(C(=O)O)C3)cc1
InChIInChI=1S/C15H15N3O6/c1-24-10-4-2-9(3-5-10)18-12(13(19)20)11-8-16(15(22)23)6-7-17(11)14(18)21/h2-5H,6-8H2,1H3,(H,19,20)(H,22,23)
InChIKeyLADNEYLCSJIUNW-UHFFFAOYSA-N
XLogP0.84
TPSA114.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid with MolForge

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Related Compounds

7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155302623
N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285509
7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
CID 158046655
N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155302609
N-[(1R)-2-amino-2-imino-1-phenylethyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 165414161
7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 167366421
tert-butyl 3-oxo-2-phenyl-1-(propan-2-ylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 155213374
7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285722
N-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 165414063
4-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylic acid
CID 21148227
(1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate
CID 123789612
8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
CID 11013115

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid (CID 162716808) is 2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid is COc1ccc(-n2c(C(=O)O)c3n(c2=O)CCN(C(=O)O)C3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid?
The InChIKey is LADNEYLCSJIUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6/c1-24-10-4-2-9(3-5-10)18-12(13(19)20)11-8-16(15(22)23)6-7-17(11)14(18)21/h2-5H,6-8H2,1H3,(H,19,20)(H,22,23).
What are the key properties of 2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid?
2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid has a molecular weight of 333.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid is sourced from PubChem (CID 162716808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).