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

C24H32N4O5 — CID 92750337

IUPACmethyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(c1ccc(C)c(C)c1)[C@@](C)(C(=O)NCCCOC(C)C)C2
InChIInChI=1S/C24H32N4O5/c1-15(2)33-11-7-10-25-23(31)24(5)13-27-14-26-19(22(30)32-6)20(27)21(29)28(24)18-9-8-16(3)17(4)12-18/h8-9,12,14-15H,7,10-11,13H2,1-6H3,(H,25,31)/t24-/m1/s1
InChIKeyFWVIWIJVJXZTLX-XMMPIXPASA-N
MW456.54 g/mol
LogP2.64
Rot. Bonds8

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

methyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92750337) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is methyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID92750337
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Namemethyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(c1ccc(C)c(C)c1)[C@@](C)(C(=O)NCCCOC(C)C)C2
InChIInChI=1S/C24H32N4O5/c1-15(2)33-11-7-10-25-23(31)24(5)13-27-14-26-19(22(30)32-6)20(27)21(29)28(24)18-9-8-16(3)17(4)12-18/h8-9,12,14-15H,7,10-11,13H2,1-6H3,(H,25,31)/t24-/m1/s1
InChIKeyFWVIWIJVJXZTLX-XMMPIXPASA-N
XLogP2.64
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92750337) is methyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(c1ccc(C)c(C)c1)[C@@](C)(C(=O)NCCCOC(C)C)C2.
What is the InChIKey of methyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is FWVIWIJVJXZTLX-XMMPIXPASA-N. The full InChI is InChI=1S/C24H32N4O5/c1-15(2)33-11-7-10-25-23(31)24(5)13-27-14-26-19(22(30)32-6)20(27)21(29)28(24)18-9-8-16(3)17(4)12-18/h8-9,12,14-15H,7,10-11,13H2,1-6H3,(H,25,31)/t24-/m1/s1.
What are the key properties of methyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 456.54 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92750337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).