6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one

C20H20F3N3O3 — CID 122652254

IUPAC6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O3/c1-13-11-26-17(10-24-18(26)15-6-8-28-9-7-15)19(27)25(13)12-14-2-4-16(5-3-14)29-20(21,22)23/h2-5,10-11,15H,6-9,12H2,1H3
InChIKeyUNRQWEFTRALILW-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.65
Rot. Bonds4

About 6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one

6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652254) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one
PubChem CID122652254
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O3/c1-13-11-26-17(10-24-18(26)15-6-8-28-9-7-15)19(27)25(13)12-14-2-4-16(5-3-14)29-20(21,22)23/h2-5,10-11,15H,6-9,12H2,1H3
InChIKeyUNRQWEFTRALILW-UHFFFAOYSA-N
XLogP3.65
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]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 6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one (CID 122652254) is 6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one?
The InChIKey is UNRQWEFTRALILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-13-11-26-17(10-24-18(26)15-6-8-28-9-7-15)19(27)25(13)12-14-2-4-16(5-3-14)29-20(21,22)23/h2-5,10-11,15H,6-9,12H2,1H3.
What are the key properties of 6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one?
6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one has a molecular weight of 407.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(oxan-4-yl)-7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).