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

C24H29FN4O4 — CID 46277654

IUPACmethyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(Cc1ccccc1F)C(C)(C(=O)NC1CCCCCC1)C2
InChIInChI=1S/C24H29FN4O4/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)
InChIKeyBHTSIYXAIWEPAG-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.06
Rot. Bonds5

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

methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 46277654) has the molecular formula C24H29FN4O4 and a molecular weight of 456.52 g/mol. Its IUPAC name is methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID46277654
Molecular FormulaC24H29FN4O4
Molecular Weight456.52 g/mol
Exact Mass456.22
IUPAC Namemethyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(Cc1ccccc1F)C(C)(C(=O)NC1CCCCCC1)C2
InChIInChI=1S/C24H29FN4O4/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)
InChIKeyBHTSIYXAIWEPAG-UHFFFAOYSA-N
XLogP3.06
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate with MolForge

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Related Compounds

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Ilp-II-47
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ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 46277654) is methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1F)C(C)(C(=O)NC1CCCCCC1)C2.
What is the InChIKey of methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is BHTSIYXAIWEPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O4/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).
What are the key properties of methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 456.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 46277654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).