methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C21H32N4O5 — CID 11611492

IUPACmethyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOCCCN1C(=O)c2c(C(=O)OC)ncn2CC1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C21H32N4O5/c1-21(20(28)23-15-9-6-4-5-7-10-15)13-24-14-22-16(19(27)30-3)17(24)18(26)25(21)11-8-12-29-2/h14-15H,4-13H2,1-3H3,(H,23,28)
InChIKeyVNJIFUNOHONRDK-UHFFFAOYSA-N
MW420.51 g/mol
LogP1.76
Rot. Bonds7

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

methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 11611492) has the molecular formula C21H32N4O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID11611492
Molecular FormulaC21H32N4O5
Molecular Weight420.51 g/mol
Exact Mass420.24
IUPAC Namemethyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOCCCN1C(=O)c2c(C(=O)OC)ncn2CC1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C21H32N4O5/c1-21(20(28)23-15-9-6-4-5-7-10-15)13-24-14-22-16(19(27)30-3)17(24)18(26)25(21)11-8-12-29-2/h14-15H,4-13H2,1-3H3,(H,23,28)
InChIKeyVNJIFUNOHONRDK-UHFFFAOYSA-N
XLogP1.76
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 11611492) is methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COCCCN1C(=O)c2c(C(=O)OC)ncn2CC1(C)C(=O)NC1CCCCCC1.
What is the InChIKey of methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is VNJIFUNOHONRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5/c1-21(20(28)23-15-9-6-4-5-7-10-15)13-24-14-22-16(19(27)30-3)17(24)18(26)25(21)11-8-12-29-2/h14-15H,4-13H2,1-3H3,(H,23,28).
What are the key properties of methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 11611492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).