methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C26H28N4O4 — CID 50794483

IUPACmethyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(c1cccc(C)c1C)C(C)(C(=O)NCc1ccc(C)cc1)C2
InChIInChI=1S/C26H28N4O4/c1-16-9-11-19(12-10-16)13-27-25(33)26(4)14-29-15-28-21(24(32)34-5)22(29)23(31)30(26)20-8-6-7-17(2)18(20)3/h6-12,15H,13-14H2,1-5H3,(H,27,33)
InChIKeyJWGKWTZIDZIQFY-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.33
Rot. Bonds5

About methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 50794483) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID50794483
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Namemethyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(c1cccc(C)c1C)C(C)(C(=O)NCc1ccc(C)cc1)C2
InChIInChI=1S/C26H28N4O4/c1-16-9-11-19(12-10-16)13-27-25(33)26(4)14-29-15-28-21(24(32)34-5)22(29)23(31)30(26)20-8-6-7-17(2)18(20)3/h6-12,15H,13-14H2,1-5H3,(H,27,33)
InChIKeyJWGKWTZIDZIQFY-UHFFFAOYSA-N
XLogP3.33
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 50794483) is methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(c1cccc(C)c1C)C(C)(C(=O)NCc1ccc(C)cc1)C2.
What is the InChIKey of methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is JWGKWTZIDZIQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-16-9-11-19(12-10-16)13-27-25(33)26(4)14-29-15-28-21(24(32)34-5)22(29)23(31)30(26)20-8-6-7-17(2)18(20)3/h6-12,15H,13-14H2,1-5H3,(H,27,33).
What are the key properties of methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 460.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 50794483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).