6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one

C15H15BrFN3OS — CID 121294065

IUPAC6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one
SMILESCSC1=NC(C)(c2cc(Br)ccc2F)Cn2c1cn(C)c2=O
InChIInChI=1S/C15H15BrFN3OS/c1-15(10-6-9(16)4-5-11(10)17)8-20-12(13(18-15)22-3)7-19(2)14(20)21/h4-7H,8H2,1-3H3
InChIKeyDPWIQPXKEBMKKZ-UHFFFAOYSA-N
MW384.27 g/mol
LogP3.13
Rot. Bonds1

About 6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one

6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 121294065) has the molecular formula C15H15BrFN3OS and a molecular weight of 384.27 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one
PubChem CID121294065
Molecular FormulaC15H15BrFN3OS
Molecular Weight384.27 g/mol
Exact Mass383.01
IUPAC Name6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one
SMILESCSC1=NC(C)(c2cc(Br)ccc2F)Cn2c1cn(C)c2=O
InChIInChI=1S/C15H15BrFN3OS/c1-15(10-6-9(16)4-5-11(10)17)8-20-12(13(18-15)22-3)7-19(2)14(20)21/h4-7H,8H2,1-3H3
InChIKeyDPWIQPXKEBMKKZ-UHFFFAOYSA-N
XLogP3.13
TPSA39.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

(6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one
CID 121296176
6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine
CID 121293741
[4-(5-bromo-2-fluorophenyl)-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-6-yl]carbamic acid
CID 118173070
(3R)-3-(5-bromo-2-fluorophenyl)-3,6,6-trimethyl-1-methylidene-1-oxo-2H-1,4-thiazin-5-amine
CID 159196026
(2S,4R)-2-(5-bromo-2-fluorophenyl)-N,2,5,5,6-pentamethyl-3,4-dihydropyridin-4-amine
CID 144715692
[5-(5-bromo-2-fluorophenyl)-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-3-yl]carbamic acid
CID 135126002
4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole
CID 154720157
(2S,5S)-6-amino-2-(5-bromo-2-fluorophenyl)-2,5-dimethyl-3,4-dihydropyridine-5-carbonitrile
CID 126733689
6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one
CID 67984540
(6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 141279779
3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol
CID 79743161
(6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine
CID 67025525

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one (CID 121294065) is 6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one is CSC1=NC(C)(c2cc(Br)ccc2F)Cn2c1cn(C)c2=O.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is DPWIQPXKEBMKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3OS/c1-15(10-6-9(16)4-5-11(10)17)8-20-12(13(18-15)22-3)7-19(2)14(20)21/h4-7H,8H2,1-3H3.
What are the key properties of 6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one?
6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 384.27 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 121294065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).