ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate

C25H24N4O6 — CID 71162098

IUPACethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCOC(=O)c1ncn2c1C(=O)N(Cc1ccc(OC)cc1)C(C)(C(=O)Nc1ccccc1)C2=O
InChIInChI=1S/C25H24N4O6/c1-4-35-22(31)19-20-21(30)29(14-16-10-12-18(34-3)13-11-16)25(2,24(33)28(20)15-26-19)23(32)27-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3,(H,27,32)
InChIKeyKNIHKQGJCRLPRZ-UHFFFAOYSA-N
MW476.49 g/mol
LogP2.76
Rot. Bonds7

About ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate

ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 71162098) has the molecular formula C25H24N4O6 and a molecular weight of 476.49 g/mol. Its IUPAC name is ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID71162098
Molecular FormulaC25H24N4O6
Molecular Weight476.49 g/mol
Exact Mass476.17
IUPAC Nameethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCOC(=O)c1ncn2c1C(=O)N(Cc1ccc(OC)cc1)C(C)(C(=O)Nc1ccccc1)C2=O
InChIInChI=1S/C25H24N4O6/c1-4-35-22(31)19-20-21(30)29(14-16-10-12-18(34-3)13-11-16)25(2,24(33)28(20)15-26-19)23(32)27-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3,(H,27,32)
InChIKeyKNIHKQGJCRLPRZ-UHFFFAOYSA-N
XLogP2.76
TPSA119.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2-N,4-N-bis(4-methoxyphenyl)-2,5-dimethyl-3-oxopyrrole-2,4-dicarboxamide
CID 101454056
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 12666140
methyl (6R)-7-[(4-methoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891908
methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891907
methyl (6R)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propoxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92750304
methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92750266
3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide
CID 11023741
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794465
ethyl 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 66668814
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523
methyl (6R)-6-(benzylcarbamoyl)-7-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891800

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate (CID 71162098) is ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate is CCOC(=O)c1ncn2c1C(=O)N(Cc1ccc(OC)cc1)C(C)(C(=O)Nc1ccccc1)C2=O.
What is the InChIKey of ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is KNIHKQGJCRLPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6/c1-4-35-22(31)19-20-21(30)29(14-16-10-12-18(34-3)13-11-16)25(2,24(33)28(20)15-26-19)23(32)27-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3,(H,27,32).
What are the key properties of ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate?
ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 476.49 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(4-methoxyphenyl)methyl]-6-methyl-5,8-dioxo-6-(phenylcarbamoyl)imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 71162098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).