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

C26H28N4O4 — CID 92891925

IUPACmethyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(c1cc(C)cc(C)c1)[C@](C)(C(=O)NCc1ccc(C)cc1)C2
InChIInChI=1S/C26H28N4O4/c1-16-6-8-19(9-7-16)13-27-25(33)26(4)14-29-15-28-21(24(32)34-5)22(29)23(31)30(26)20-11-17(2)10-18(3)12-20/h6-12,15H,13-14H2,1-5H3,(H,27,33)/t26-/m0/s1
InChIKeyFGPWYVFSGQSSNF-SANMLTNESA-N
MW460.53 g/mol
LogP3.33
Rot. Bonds5

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

methyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891925) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is methyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID92891925
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Namemethyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(c1cc(C)cc(C)c1)[C@](C)(C(=O)NCc1ccc(C)cc1)C2
InChIInChI=1S/C26H28N4O4/c1-16-6-8-19(9-7-16)13-27-25(33)26(4)14-29-15-28-21(24(32)34-5)22(29)23(31)30(26)20-11-17(2)10-18(3)12-20/h6-12,15H,13-14H2,1-5H3,(H,27,33)/t26-/m0/s1
InChIKeyFGPWYVFSGQSSNF-SANMLTNESA-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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Related Compounds

methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794446
methyl (6R)-6-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891942
methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891807
methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891911
methyl 7-(2,3-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794483
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 (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92750266
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
(6R)-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072137
methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794499
methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891950

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92891925) is methyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(c1cc(C)cc(C)c1)[C@](C)(C(=O)NCc1ccc(C)cc1)C2.
What is the InChIKey of methyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is FGPWYVFSGQSSNF-SANMLTNESA-N. The full InChI is InChI=1S/C26H28N4O4/c1-16-6-8-19(9-7-16)13-27-25(33)26(4)14-29-15-28-21(24(32)34-5)22(29)23(31)30(26)20-11-17(2)10-18(3)12-20/h6-12,15H,13-14H2,1-5H3,(H,27,33)/t26-/m0/s1.
What are the key properties of methyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl (6S)-7-(3,5-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 (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).