methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C20H22N4O4 — CID 92891801

IUPACmethyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESC=CCN1C(=O)c2c(C(=O)OC)ncn2C[C@@]1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C20H22N4O4/c1-4-10-24-17(25)16-15(18(26)28-3)22-13-23(16)12-20(24,2)19(27)21-11-14-8-6-5-7-9-14/h4-9,13H,1,10-12H2,2-3H3,(H,21,27)/t20-/m0/s1
InChIKeyNIAZOQIDVVBANF-FQEVSTJZSA-N
MW382.42 g/mol
LogP1.39
Rot. Bonds6

About methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891801) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID92891801
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Namemethyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESC=CCN1C(=O)c2c(C(=O)OC)ncn2C[C@@]1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C20H22N4O4/c1-4-10-24-17(25)16-15(18(26)28-3)22-13-23(16)12-20(24,2)19(27)21-11-14-8-6-5-7-9-14/h4-9,13H,1,10-12H2,2-3H3,(H,21,27)/t20-/m0/s1
InChIKeyNIAZOQIDVVBANF-FQEVSTJZSA-N
XLogP1.39
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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)-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)-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-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 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 (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891807
methyl (6R)-6-(benzylcarbamoyl)-7-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891810
6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 50792441
methyl (6R)-7-[(4-chlorophenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891896

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92891801) is methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate is C=CCN1C(=O)c2c(C(=O)OC)ncn2C[C@@]1(C)C(=O)NCc1ccccc1.
What is the InChIKey of methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is NIAZOQIDVVBANF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-4-10-24-17(25)16-15(18(26)28-3)22-13-23(16)12-20(24,2)19(27)21-11-14-8-6-5-7-9-14/h4-9,13H,1,10-12H2,2-3H3,(H,21,27)/t20-/m0/s1.
What are the key properties of methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-prop-2-enyl-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).