methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C26H28N4O5 — CID 50794416

IUPACmethyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCc1ccc(N2C(=O)c3c(C(=O)OC)ncn3CC2(C)C(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C26H28N4O5/c1-5-17-10-12-19(13-11-17)30-23(31)22-21(24(32)35-4)28-16-29(22)15-26(30,2)25(33)27-14-18-8-6-7-9-20(18)34-3/h6-13,16H,5,14-15H2,1-4H3,(H,27,33)
InChIKeyOYWWXMJEIWPAFD-UHFFFAOYSA-N
MW476.53 g/mol
LogP2.98
Rot. Bonds7

About methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 50794416) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID50794416
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Namemethyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCc1ccc(N2C(=O)c3c(C(=O)OC)ncn3CC2(C)C(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C26H28N4O5/c1-5-17-10-12-19(13-11-17)30-23(31)22-21(24(32)35-4)28-16-29(22)15-26(30,2)25(33)27-14-18-8-6-7-9-20(18)34-3/h6-13,16H,5,14-15H2,1-4H3,(H,27,33)
InChIKeyOYWWXMJEIWPAFD-UHFFFAOYSA-N
XLogP2.98
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891848
methyl (6S)-7-[(4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891855
methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891825
methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794444
methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891807
methyl (6R)-6-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891942
methyl (6R)-7-[(3-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891880
methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891874
methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891911
methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891950
methyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891925
methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794446

Frequently Asked Questions

What is the IUPAC name of methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 50794416) is methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is CCc1ccc(N2C(=O)c3c(C(=O)OC)ncn3CC2(C)C(=O)NCc2ccccc2OC)cc1.
What is the InChIKey of methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is OYWWXMJEIWPAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-5-17-10-12-19(13-11-17)30-23(31)22-21(24(32)35-4)28-16-29(22)15-26(30,2)25(33)27-14-18-8-6-7-9-20(18)34-3/h6-13,16H,5,14-15H2,1-4H3,(H,27,33).
What are the key properties of methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 476.53 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 50794416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).