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

C25H24FN3O2 — CID 122652351

IUPAC6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESO=c1c2cnc(C3CCOCC3)n2cc(Cc2ccccc2)n1Cc1cccc(F)c1
InChIInChI=1S/C25H24FN3O2/c26-21-8-4-7-19(13-21)16-28-22(14-18-5-2-1-3-6-18)17-29-23(25(28)30)15-27-24(29)20-9-11-31-12-10-20/h1-8,13,15,17,20H,9-12,14,16H2
InChIKeyNTXQTICQWIKNOO-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.17
Rot. Bonds5

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

6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652351) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652351
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESO=c1c2cnc(C3CCOCC3)n2cc(Cc2ccccc2)n1Cc1cccc(F)c1
InChIInChI=1S/C25H24FN3O2/c26-21-8-4-7-19(13-21)16-28-22(14-18-5-2-1-3-6-18)17-29-23(25(28)30)15-27-24(29)20-9-11-31-12-10-20/h1-8,13,15,17,20H,9-12,14,16H2
InChIKeyNTXQTICQWIKNOO-UHFFFAOYSA-N
XLogP4.17
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-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 6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652351) is 6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is O=c1c2cnc(C3CCOCC3)n2cc(Cc2ccccc2)n1Cc1cccc(F)c1.
What is the InChIKey of 6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is NTXQTICQWIKNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-21-8-4-7-19(13-21)16-28-22(14-18-5-2-1-3-6-18)17-29-23(25(28)30)15-27-24(29)20-9-11-31-12-10-20/h1-8,13,15,17,20H,9-12,14,16H2.
What are the key properties of 6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 417.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).