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

C24H29ClN4O4 — CID 92743064

IUPACmethyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(Cc1ccccc1Cl)[C@](C)(C(=O)NC1CCCCCC1)C2
InChIInChI=1S/C24H29ClN4O4/c1-24(23(32)27-17-10-5-3-4-6-11-17)14-28-15-26-19(22(31)33-2)20(28)21(30)29(24)13-16-9-7-8-12-18(16)25/h7-9,12,15,17H,3-6,10-11,13-14H2,1-2H3,(H,27,32)/t24-/m0/s1
InChIKeyVQHSWXLKDREGCI-DEOSSOPVSA-N
MW472.97 g/mol
LogP3.58
Rot. Bonds5

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

methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92743064) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID92743064
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC Namemethyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(Cc1ccccc1Cl)[C@](C)(C(=O)NC1CCCCCC1)C2
InChIInChI=1S/C24H29ClN4O4/c1-24(23(32)27-17-10-5-3-4-6-11-17)14-28-15-26-19(22(31)33-2)20(28)21(30)29(24)13-16-9-7-8-12-18(16)25/h7-9,12,15,17H,3-6,10-11,13-14H2,1-2H3,(H,27,32)/t24-/m0/s1
InChIKeyVQHSWXLKDREGCI-DEOSSOPVSA-N
XLogP3.58
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(4-ethylphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758253
(6R)-1-N-[(2-chlorophenyl)methyl]-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058839
methyl (6S)-7-[(3-chlorophenyl)methyl]-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92735015
methyl (6R)-6-(cyclohexylcarbamoyl)-6-methyl-8-oxo-7-(thiophen-2-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92743039
methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-(2-phenylethyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758291
methyl (6R)-6-(cyclopentylcarbamoyl)-7-[(2,4-dimethoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92742993
methyl 6-(cyclohexylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 20916712
N-cycloheptyl-7-[(2-ethoxyphenyl)methyl]-1-(2-hydroxypropanoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide
CID 71219735
5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272634
methyl (6R)-6-(cyclohexylcarbamoyl)-7-[2-(4-ethoxyphenyl)ethyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92743053

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92743064) is methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1Cl)[C@](C)(C(=O)NC1CCCCCC1)C2.
What is the InChIKey of methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is VQHSWXLKDREGCI-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-24(23(32)27-17-10-5-3-4-6-11-17)14-28-15-26-19(22(31)33-2)20(28)21(30)29(24)13-16-9-7-8-12-18(16)25/h7-9,12,15,17H,3-6,10-11,13-14H2,1-2H3,(H,27,32)/t24-/m0/s1.
What are the key properties of methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 472.97 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92743064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).