methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C25H26N4O4 — CID 50794499

IUPACmethyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(Cc1cccc(C)c1)C(C)(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C25H26N4O4/c1-17-8-7-11-19(12-17)14-29-22(30)21-20(23(31)33-3)27-16-28(21)15-25(29,2)24(32)26-13-18-9-5-4-6-10-18/h4-12,16H,13-15H2,1-3H3,(H,26,32)
InChIKeyNYCBPRGKLRUOJM-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.71
Rot. Bonds6

About methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 50794499) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID50794499
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Namemethyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(Cc1cccc(C)c1)C(C)(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C25H26N4O4/c1-17-8-7-11-19(12-17)14-29-22(30)21-20(23(31)33-3)27-16-28(21)15-25(29,2)24(32)26-13-18-9-5-4-6-10-18/h4-12,16H,13-15H2,1-3H3,(H,26,32)
InChIKeyNYCBPRGKLRUOJM-UHFFFAOYSA-N
XLogP2.71
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92750266
methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891814
methyl (6R)-6-(benzylcarbamoyl)-7-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891800
methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylsulfanylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92750295
methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylsulfanylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92750296
6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083856
methyl (6R)-7-[(4-chlorophenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891896
methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794465
methyl (6R)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propoxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92750304
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 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 46279515

Frequently Asked Questions

What is the IUPAC name of methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 50794499) is methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(Cc1cccc(C)c1)C(C)(C(=O)NCc1ccccc1)C2.
What is the InChIKey of methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is NYCBPRGKLRUOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-17-8-7-11-19(12-17)14-29-22(30)21-20(23(31)33-3)27-16-28(21)15-25(29,2)24(32)26-13-18-9-5-4-6-10-18/h4-12,16H,13-15H2,1-3H3,(H,26,32).
What are the key properties of methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 446.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 50794499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).