methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C23H28N4O4 — CID 92742976

IUPACmethyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCc1cccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C23H28N4O4/c1-4-15-8-7-11-17(12-15)27-20(28)19-18(21(29)31-3)24-14-26(19)13-23(27,2)22(30)25-16-9-5-6-10-16/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3,(H,25,30)/t23-/m0/s1
InChIKeyQGDFQIQMYDCUDN-QHCPKHFHSA-N
MW424.50 g/mol
LogP2.71
Rot. Bonds5

About methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92742976) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID92742976
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Namemethyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCc1cccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C23H28N4O4/c1-4-15-8-7-11-17(12-15)27-20(28)19-18(21(29)31-3)24-14-26(19)13-23(27,2)22(30)25-16-9-5-6-10-16/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3,(H,25,30)/t23-/m0/s1
InChIKeyQGDFQIQMYDCUDN-QHCPKHFHSA-N
XLogP2.71
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-(2-phenylethyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758291
methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 46277633
methyl 6-(cyclohexylcarbamoyl)-7-[(4-ethylphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758253
methyl (6S)-7-[(3-chlorophenyl)methyl]-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92735015
methyl 6-(cycloheptylcarbamoyl)-7-[2-(4-ethoxyphenyl)ethyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 11656206
methyl (6R)-6-(cyclohexylcarbamoyl)-7-[2-(4-ethoxyphenyl)ethyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92743053
ethyl (6S)-6-(cyclohexylcarbamoyl)-5-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744975
methyl (6R)-6-(cyclohexylcarbamoyl)-6-methyl-8-oxo-7-(thiophen-2-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92743039
methyl 6-(cyclohexylcarbamoyl)-6-methyl-7-[(2-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758251
methyl (6R)-6-(cyclopentylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92742987
methyl 6-(cyclohexylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 20916712
(2S)-N-cyclopentyl-1-(3-ethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734230

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92742976) is methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is CCc1cccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is QGDFQIQMYDCUDN-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-4-15-8-7-11-17(12-15)27-20(28)19-18(21(29)31-3)24-14-26(19)13-23(27,2)22(30)25-16-9-5-6-10-16/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3,(H,25,30)/t23-/m0/s1.
What are the key properties of methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92742976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).