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

C24H22ClFN4O4 — CID 92891810

IUPACmethyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(Cc1ccc(F)cc1Cl)[C@@](C)(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C24H22ClFN4O4/c1-24(23(33)27-11-15-6-4-3-5-7-15)13-29-14-28-19(22(32)34-2)20(29)21(31)30(24)12-16-8-9-17(26)10-18(16)25/h3-10,14H,11-13H2,1-2H3,(H,27,33)/t24-/m1/s1
InChIKeyPDBGVSYINFKVPP-XMMPIXPASA-N
MW484.92 g/mol
LogP3.19
Rot. Bonds6

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

methyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891810) has the molecular formula C24H22ClFN4O4 and a molecular weight of 484.92 g/mol. Its IUPAC name is methyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID92891810
Molecular FormulaC24H22ClFN4O4
Molecular Weight484.92 g/mol
Exact Mass484.13
IUPAC Namemethyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(Cc1ccc(F)cc1Cl)[C@@](C)(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C24H22ClFN4O4/c1-24(23(33)27-11-15-6-4-3-5-7-15)13-29-14-28-19(22(32)34-2)20(29)21(31)30(24)12-16-8-9-17(26)10-18(16)25/h3-10,14H,11-13H2,1-2H3,(H,27,33)/t24-/m1/s1
InChIKeyPDBGVSYINFKVPP-XMMPIXPASA-N
XLogP3.19
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
methyl (6R)-6-(benzylcarbamoyl)-7-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891800
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)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92750266
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
methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794499
methyl (6S)-7-[(4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891855
methyl (6R)-7-[(3-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891880
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-[(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 (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92891810) is methyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-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)NCc1ccccc1)C2.
What is the InChIKey of methyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is PDBGVSYINFKVPP-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22ClFN4O4/c1-24(23(33)27-11-15-6-4-3-5-7-15)13-29-14-28-19(22(32)34-2)20(29)21(31)30(24)12-16-8-9-17(26)10-18(16)25/h3-10,14H,11-13H2,1-2H3,(H,27,33)/t24-/m1/s1.
What are the key properties of methyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 484.92 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).