methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate

C16H20ClN3O2 — CID 140825192

IUPACmethyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate
SMILESCOC(=O)C(C)CC1CCC(c2ncc3c(Cl)nccn23)C1
InChIInChI=1S/C16H20ClN3O2/c1-10(16(21)22-2)7-11-3-4-12(8-11)15-19-9-13-14(17)18-5-6-20(13)15/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyXDFGDMGXRXXELN-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.47
Rot. Bonds4

About methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate

methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate (PubChem CID 140825192) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate
PubChem CID140825192
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Namemethyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate
SMILESCOC(=O)C(C)CC1CCC(c2ncc3c(Cl)nccn23)C1
InChIInChI=1S/C16H20ClN3O2/c1-10(16(21)22-2)7-11-3-4-12(8-11)15-19-9-13-14(17)18-5-6-20(13)15/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyXDFGDMGXRXXELN-UHFFFAOYSA-N
XLogP3.47
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate?
The IUPAC name of methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate (CID 140825192) is methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate?
The canonical SMILES for methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate is COC(=O)C(C)CC1CCC(c2ncc3c(Cl)nccn23)C1.
What is the InChIKey of methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate?
The InChIKey is XDFGDMGXRXXELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-10(16(21)22-2)7-11-3-4-12(8-11)15-19-9-13-14(17)18-5-6-20(13)15/h5-6,9-12H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate?
methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate has a molecular weight of 321.81 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclopentyl]-2-methylpropanoate is sourced from PubChem (CID 140825192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).