methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C26H28N4O5 — CID 92891911

IUPACmethyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCOc1ccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C26H28N4O5/c1-5-35-20-12-10-19(11-13-20)30-23(31)22-21(24(32)34-4)28-16-29(22)15-26(30,3)25(33)27-14-18-8-6-17(2)7-9-18/h6-13,16H,5,14-15H2,1-4H3,(H,27,33)/t26-/m0/s1
InChIKeyMLYITWKCCIAZSY-SANMLTNESA-N
MW476.53 g/mol
LogP3.11
Rot. Bonds7

About methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891911) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID92891911
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Namemethyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCOc1ccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C26H28N4O5/c1-5-35-20-12-10-19(11-13-20)30-23(31)22-21(24(32)34-4)28-16-29(22)15-26(30,3)25(33)27-14-18-8-6-17(2)7-9-18/h6-13,16H,5,14-15H2,1-4H3,(H,27,33)/t26-/m0/s1
InChIKeyMLYITWKCCIAZSY-SANMLTNESA-N
XLogP3.11
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891925
methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794446
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
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-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891950
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 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794416
(6R)-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072137

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92891911) is methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is CCOc1ccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is MLYITWKCCIAZSY-SANMLTNESA-N. The full InChI is InChI=1S/C26H28N4O5/c1-5-35-20-12-10-19(11-13-20)30-23(31)22-21(24(32)34-4)28-16-29(22)15-26(30,3)25(33)27-14-18-8-6-17(2)7-9-18/h6-13,16H,5,14-15H2,1-4H3,(H,27,33)/t26-/m0/s1.
What are the key properties of methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 476.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).