methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C23H30N4O5 — CID 92891848

IUPACmethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(CCC(C)C)[C@@](C)(C(=O)NCc1ccccc1OC)C2
InChIInChI=1S/C23H30N4O5/c1-15(2)10-11-27-20(28)19-18(21(29)32-5)25-14-26(19)13-23(27,3)22(30)24-12-16-8-6-7-9-17(16)31-4/h6-9,14-15H,10-13H2,1-5H3,(H,24,30)/t23-/m1/s1
InChIKeyPDJMKMFIASJDOC-HSZRJFAPSA-N
MW442.52 g/mol
LogP2.26
Rot. Bonds8

About methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891848) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID92891848
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Namemethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(CCC(C)C)[C@@](C)(C(=O)NCc1ccccc1OC)C2
InChIInChI=1S/C23H30N4O5/c1-15(2)10-11-27-20(28)19-18(21(29)32-5)25-14-26(19)13-23(27,3)22(30)24-12-16-8-6-7-9-17(16)31-4/h6-9,14-15H,10-13H2,1-5H3,(H,24,30)/t23-/m1/s1
InChIKeyPDJMKMFIASJDOC-HSZRJFAPSA-N
XLogP2.26
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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 (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891825
methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794416
methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794444
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 (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)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891950
(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-2-(3-methylbutyl)-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089557
(6S)-1-N-[(2-ethoxyphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072329
(6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 98318114
methyl (6R)-6-(benzylcarbamoyl)-7-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891800
6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083863

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92891848) is methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(CCC(C)C)[C@@](C)(C(=O)NCc1ccccc1OC)C2.
What is the InChIKey of methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is PDJMKMFIASJDOC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-15(2)10-11-27-20(28)19-18(21(29)32-5)25-14-26(19)13-23(27,3)22(30)24-12-16-8-6-7-9-17(16)31-4/h6-9,14-15H,10-13H2,1-5H3,(H,24,30)/t23-/m1/s1.
What are the key properties of methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 442.52 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).