7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one

C17H16F3N3O3S — CID 123375024

IUPAC7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one
SMILESCn1cc(-c2cc(CS(C)=O)ccc2OCC(F)(F)F)n2cncc2c1=O
InChIInChI=1S/C17H16F3N3O3S/c1-22-7-14(23-10-21-6-13(23)16(22)24)12-5-11(8-27(2)25)3-4-15(12)26-9-17(18,19)20/h3-7,10H,8-9H2,1-2H3
InChIKeyKFVLIRUEUIFDIX-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.52
Rot. Bonds5

About 7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one

7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one (PubChem CID 123375024) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is 7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one
PubChem CID123375024
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC Name7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one
SMILESCn1cc(-c2cc(CS(C)=O)ccc2OCC(F)(F)F)n2cncc2c1=O
InChIInChI=1S/C17H16F3N3O3S/c1-22-7-14(23-10-21-6-13(23)16(22)24)12-5-11(8-27(2)25)3-4-15(12)26-9-17(18,19)20/h3-7,10H,8-9H2,1-2H3
InChIKeyKFVLIRUEUIFDIX-UHFFFAOYSA-N
XLogP2.52
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one 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 7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one (CID 123375024) is 7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one is Cn1cc(-c2cc(CS(C)=O)ccc2OCC(F)(F)F)n2cncc2c1=O.
What is the InChIKey of 7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one?
The InChIKey is KFVLIRUEUIFDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c1-22-7-14(23-10-21-6-13(23)16(22)24)12-5-11(8-27(2)25)3-4-15(12)26-9-17(18,19)20/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one?
7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one has a molecular weight of 399.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 123375024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).