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

C19H15BrFN3O — CID 69362444

IUPAC1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESO=C1Cn2cnc(-c3cccc(Br)c3)c2CN1Cc1cccc(F)c1
InChIInChI=1S/C19H15BrFN3O/c20-15-5-2-4-14(8-15)19-17-10-23(18(25)11-24(17)12-22-19)9-13-3-1-6-16(21)7-13/h1-8,12H,9-11H2
InChIKeyRRXTXVYIHMNROQ-UHFFFAOYSA-N
MW400.25 g/mol
LogP3.99
Rot. Bonds3

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

1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 69362444) has the molecular formula C19H15BrFN3O and a molecular weight of 400.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID69362444
Molecular FormulaC19H15BrFN3O
Molecular Weight400.25 g/mol
Exact Mass399.04
IUPAC Name1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESO=C1Cn2cnc(-c3cccc(Br)c3)c2CN1Cc1cccc(F)c1
InChIInChI=1S/C19H15BrFN3O/c20-15-5-2-4-14(8-15)19-17-10-23(18(25)11-24(17)12-22-19)9-13-3-1-6-16(21)7-13/h1-8,12H,9-11H2
InChIKeyRRXTXVYIHMNROQ-UHFFFAOYSA-N
XLogP3.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.25
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 69362971
1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 69365583
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one
CID 21089595
2-bromo-6-[(3-fluorophenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;carbon dioxide
CID 167709394
1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine
CID 21203111
5-bromo-3-[(3-fluorophenyl)methyl]-6-(3-propan-2-ylphenyl)pyrimidin-4-one
CID 21089586
1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride
CID 21203110
1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
CID 133353797
4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 132587726
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide
CID 88919955

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 69362444) is 1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is O=C1Cn2cnc(-c3cccc(Br)c3)c2CN1Cc1cccc(F)c1.
What is the InChIKey of 1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is RRXTXVYIHMNROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O/c20-15-5-2-4-14(8-15)19-17-10-23(18(25)11-24(17)12-22-19)9-13-3-1-6-16(21)7-13/h1-8,12H,9-11H2.
What are the key properties of 1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 400.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 69362444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).