7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C16H18FN3O — CID 24772323

IUPAC7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC(C)C1C(=O)N(Cc2cccc(F)c2)Cc2cncn21
InChIInChI=1S/C16H18FN3O/c1-11(2)15-16(21)19(9-14-7-18-10-20(14)15)8-12-4-3-5-13(17)6-12/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyWLUWQOBHOKTIOE-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.76
Rot. Bonds3

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

7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 24772323) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID24772323
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC(C)C1C(=O)N(Cc2cccc(F)c2)Cc2cncn21
InChIInChI=1S/C16H18FN3O/c1-11(2)15-16(21)19(9-14-7-18-10-20(14)15)8-12-4-3-5-13(17)6-12/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyWLUWQOBHOKTIOE-UHFFFAOYSA-N
XLogP2.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 24772386
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
(5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1-methylpyrazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163313266
7-[(4-fluorophenyl)methyl]-5-(3-isocyanophenyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 58677151
(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1,3-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163319359
3-tert-butyl-1-[(3-fluorophenyl)methyl]piperazine-2,5-dione
CID 64880761
1-[(3-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880250
(3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
CID 165424719
3-ethyl-1-[(3-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64902986
(5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(5-methyl-1H-imidazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 164695993
4-[(5S)-7-[(3-fluorophenyl)methyl]-5-methyl-6-oxo-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]benzonitrile
CID 163312051

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 24772323) is 7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC(C)C1C(=O)N(Cc2cccc(F)c2)Cc2cncn21.
What is the InChIKey of 7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is WLUWQOBHOKTIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11(2)15-16(21)19(9-14-7-18-10-20(14)15)8-12-4-3-5-13(17)6-12/h3-7,10-11,15H,8-9H2,1-2H3.
What are the key properties of 7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 287.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methyl]-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 24772323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).