7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C15H18FN3O2 — CID 79096262

IUPAC7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(C(=O)c1ccc(F)cc1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C15H18FN3O2/c1-10(14(20)11-2-4-12(16)5-3-11)18-6-7-19-13(9-18)8-17-15(19)21/h2-5,10,13H,6-9H2,1H3,(H,17,21)
InChIKeyNGNNEBAHMLTYFK-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.11
Rot. Bonds3

About 7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79096262) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79096262
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(C(=O)c1ccc(F)cc1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C15H18FN3O2/c1-10(14(20)11-2-4-12(16)5-3-11)18-6-7-19-13(9-18)8-17-15(19)21/h2-5,10,13H,6-9H2,1H3,(H,17,21)
InChIKeyNGNNEBAHMLTYFK-UHFFFAOYSA-N
XLogP1.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-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-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79096262) is 7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC(C(=O)c1ccc(F)cc1)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is NGNNEBAHMLTYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10(14(20)11-2-4-12(16)5-3-11)18-6-7-19-13(9-18)8-17-15(19)21/h2-5,10,13H,6-9H2,1H3,(H,17,21).
What are the key properties of 7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 291.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79096262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).