(1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate

C19H25N5O5 — CID 123789612

IUPAC(1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate
SMILESCOc1ccc(N2CCN(C(=O)On3c(O)c4n(c3=O)CCN(C)C4)CC2)cc1
InChIInChI=1S/C19H25N5O5/c1-20-7-12-23-16(13-20)17(25)24(18(23)26)29-19(27)22-10-8-21(9-11-22)14-3-5-15(28-2)6-4-14/h3-6,25H,7-13H2,1-2H3
InChIKeyDGTJXPKLVQJEFV-UHFFFAOYSA-N
MW403.44 g/mol
LogP0.18
Rot. Bonds3

About (1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate

(1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate (PubChem CID 123789612) has the molecular formula C19H25N5O5 and a molecular weight of 403.44 g/mol. Its IUPAC name is (1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name(1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate
PubChem CID123789612
Molecular FormulaC19H25N5O5
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC Name(1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate
SMILESCOc1ccc(N2CCN(C(=O)On3c(O)c4n(c3=O)CCN(C)C4)CC2)cc1
InChIInChI=1S/C19H25N5O5/c1-20-7-12-23-16(13-20)17(25)24(18(23)26)29-19(27)22-10-8-21(9-11-22)14-3-5-15(28-2)6-4-14/h3-6,25H,7-13H2,1-2H3
InChIKeyDGTJXPKLVQJEFV-UHFFFAOYSA-N
XLogP0.18
TPSA92.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid
CID 162716808
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211150
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759712
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate?
The IUPAC name of (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) is (1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for (1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for (1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate is COc1ccc(N2CCN(C(=O)On3c(O)c4n(c3=O)CCN(C)C4)CC2)cc1.
What is the InChIKey of (1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate?
The InChIKey is DGTJXPKLVQJEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5/c1-20-7-12-23-16(13-20)17(25)24(18(23)26)29-19(27)22-10-8-21(9-11-22)14-3-5-15(28-2)6-4-14/h3-6,25H,7-13H2,1-2H3.
What are the key properties of (1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate?
(1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate has a molecular weight of 403.44 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 123789612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).