7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one

C19H20FN3O2 — CID 122652425

IUPAC7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c([C@@H]3CCCCO3)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C19H20FN3O2/c1-13-11-23-16(10-21-18(23)17-7-2-3-8-25-17)19(24)22(13)12-14-5-4-6-15(20)9-14/h4-6,9-11,17H,2-3,7-8,12H2,1H3/t17-/m0/s1
InChIKeyHIARPVHIVVSVTG-KRWDZBQOSA-N
MW341.39 g/mol
LogP3.23
Rot. Bonds3

About 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one

7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652425) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one
PubChem CID122652425
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c([C@@H]3CCCCO3)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C19H20FN3O2/c1-13-11-23-16(10-21-18(23)17-7-2-3-8-25-17)19(24)22(13)12-14-5-4-6-15(20)9-14/h4-6,9-11,17H,2-3,7-8,12H2,1H3/t17-/m0/s1
InChIKeyHIARPVHIVVSVTG-KRWDZBQOSA-N
XLogP3.23
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]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-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one (CID 122652425) is 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one is Cc1cn2c([C@@H]3CCCCO3)ncc2c(=O)n1Cc1cccc(F)c1.
What is the InChIKey of 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one?
The InChIKey is HIARPVHIVVSVTG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-11-23-16(10-21-18(23)17-7-2-3-8-25-17)19(24)22(13)12-14-5-4-6-15(20)9-14/h4-6,9-11,17H,2-3,7-8,12H2,1H3/t17-/m0/s1.
What are the key properties of 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one?
7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one has a molecular weight of 341.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S)-oxan-2-yl]imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).