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

C25H24ClFN4O5 — CID 92891874

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

methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891874) has the molecular formula C25H24ClFN4O5 and a molecular weight of 514.94 g/mol. Its IUPAC name is methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 92891874
• Molecular Formula: C25H24ClFN4O5
• Molecular Weight: 514.94 g/mol
• Exact Mass: 514.14
• IUPAC Name: methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: COC(=O)c1ncn2c1C(=O)N(Cc1ccc(F)cc1Cl)[C@@](C)(C(=O)NCc1ccccc1OC)C2
• InChI: InChI=1S/C25H24ClFN4O5/c1-25(24(34)28-11-15-6-4-5-7-19(15)35-2)13-30-14-29-20(23(33)36-3)21(30)22(32)31(25)12-16-8-9-17(27)10-18(16)26/h4-10,14H,11-13H2,1-3H3,(H,28,34)/t25-/m1/s1
• InChIKey: YEYXZFLMEZPTKD-RUZDIDTESA-N
• XLogP: 3.20
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.94
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The IUPAC name of 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) is methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

What is the SMILES notation for methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The canonical SMILES for methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(Cc1ccc(F)cc1Cl)[C@@](C)(C(=O)NCc1ccccc1OC)C2.

What is the InChIKey of methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The InChIKey is YEYXZFLMEZPTKD-RUZDIDTESA-N. The full InChI is InChI=1S/C25H24ClFN4O5/c1-25(24(34)28-11-15-6-4-5-7-19(15)35-2)13-30-14-29-20(23(33)36-3)21(30)22(32)31(25)12-16-8-9-17(27)10-18(16)26/h4-10,14H,11-13H2,1-3H3,(H,28,34)/t25-/m1/s1.

What are the key properties of methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 514.94 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).