methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C22H25ClN4O5 — CID 46277633

IUPACmethyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(c1ccc(OC)c(Cl)c1)C(C)(C(=O)NC1CCCC1)C2
InChIInChI=1S/C22H25ClN4O5/c1-22(21(30)25-13-6-4-5-7-13)11-26-12-24-17(20(29)32-3)18(26)19(28)27(22)14-8-9-16(31-2)15(23)10-14/h8-10,12-13H,4-7,11H2,1-3H3,(H,25,30)
InChIKeySWIVRAGETFQDKG-UHFFFAOYSA-N
MW460.92 g/mol
LogP2.81
Rot. Bonds5

About methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 46277633) has the molecular formula C22H25ClN4O5 and a molecular weight of 460.92 g/mol. Its IUPAC name is methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID46277633
Molecular FormulaC22H25ClN4O5
Molecular Weight460.92 g/mol
Exact Mass460.15
IUPAC Namemethyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(c1ccc(OC)c(Cl)c1)C(C)(C(=O)NC1CCCC1)C2
InChIInChI=1S/C22H25ClN4O5/c1-22(21(30)25-13-6-4-5-7-13)11-26-12-24-17(20(29)32-3)18(26)19(28)27(22)14-8-9-16(31-2)15(23)10-14/h8-10,12-13H,4-7,11H2,1-3H3,(H,25,30)
InChIKeySWIVRAGETFQDKG-UHFFFAOYSA-N
XLogP2.81
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (6S)-6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92742976
methyl (6R)-6-(cyclopentylcarbamoyl)-7-[(2,4-dimethoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92742993
methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92743064
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-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-(2-phenylethyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758291
(6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062741
methyl 6-(cyclohexylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 20916712
methyl (6R)-6-(cyclohexylcarbamoyl)-7-[2-(4-ethoxyphenyl)ethyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92743053
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)-6-methyl-8-oxo-7-(thiophen-2-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92743039
methyl (6S)-5-(3-chloro-4-methylphenyl)-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744627

Frequently Asked Questions

What is the IUPAC name of methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 46277633) is methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(c1ccc(OC)c(Cl)c1)C(C)(C(=O)NC1CCCC1)C2.
What is the InChIKey of methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is SWIVRAGETFQDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O5/c1-22(21(30)25-13-6-4-5-7-13)11-26-12-24-17(20(29)32-3)18(26)19(28)27(22)14-8-9-16(31-2)15(23)10-14/h8-10,12-13H,4-7,11H2,1-3H3,(H,25,30).
What are the key properties of methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 460.92 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 46277633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).