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

C25H25FN4O4 — CID 50794446

IUPACmethyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-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(F)cc1)C2
InChIInChI=1S/C25H25FN4O4/c1-15-9-16(2)11-19(10-15)30-22(31)21-20(23(32)34-4)28-14-29(21)13-25(30,3)24(33)27-12-17-5-7-18(26)8-6-17/h5-11,14H,12-13H2,1-4H3,(H,27,33)
InChIKeyPJXGPRZFBFOWKO-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.16
Rot. Bonds5

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

methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 50794446) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID50794446
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Namemethyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-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(F)cc1)C2
InChIInChI=1S/C25H25FN4O4/c1-15-9-16(2)11-19(10-15)30-22(31)21-20(23(32)34-4)28-14-29(21)13-25(30,3)24(33)27-12-17-5-7-18(26)8-6-17/h5-11,14H,12-13H2,1-4H3,(H,27,33)
InChIKeyPJXGPRZFBFOWKO-UHFFFAOYSA-N
XLogP3.16
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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 (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 (6R)-6-(benzylcarbamoyl)-7-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891800
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)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891814
methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794499
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

Frequently Asked Questions

What is the IUPAC name of methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 50794446) is methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-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(F)cc1)C2.
What is the InChIKey of methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is PJXGPRZFBFOWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c1-15-9-16(2)11-19(10-15)30-22(31)21-20(23(32)34-4)28-14-29(21)13-25(30,3)24(33)27-12-17-5-7-18(26)8-6-17/h5-11,14H,12-13H2,1-4H3,(H,27,33).
What are the key properties of methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 464.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 50794446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).