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

C16H17BrFN3OS — CID 121296176

IUPAC(6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one
SMILESCCn1cc2n(c1=O)C[C@@](C)(c1cc(Br)ccc1F)N=C2SC
InChIInChI=1S/C16H17BrFN3OS/c1-4-20-8-13-14(23-3)19-16(2,9-21(13)15(20)22)11-7-10(17)5-6-12(11)18/h5-8H,4,9H2,1-3H3/t16-/m0/s1
InChIKeyVSCRSXKSQJERIB-INIZCTEOSA-N
MW398.30 g/mol
LogP3.61
Rot. Bonds2

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

(6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 121296176) has the molecular formula C16H17BrFN3OS and a molecular weight of 398.30 g/mol. Its IUPAC name is (6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one
PubChem CID121296176
Molecular FormulaC16H17BrFN3OS
Molecular Weight398.30 g/mol
Exact Mass397.03
IUPAC Name(6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one
SMILESCCn1cc2n(c1=O)C[C@@](C)(c1cc(Br)ccc1F)N=C2SC
InChIInChI=1S/C16H17BrFN3OS/c1-4-20-8-13-14(23-3)19-16(2,9-21(13)15(20)22)11-7-10(17)5-6-12(11)18/h5-8H,4,9H2,1-3H3/t16-/m0/s1
InChIKeyVSCRSXKSQJERIB-INIZCTEOSA-N
XLogP3.61
TPSA39.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one
CID 121294065
6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine
CID 121293741
8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one
CID 123369920
[4-(5-bromo-2-fluorophenyl)-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-6-yl]carbamic acid
CID 118173070
(6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one
CID 144756170
(3R)-3-(5-bromo-2-fluorophenyl)-3,6,6-trimethyl-1-methylidene-1-oxo-2H-1,4-thiazin-5-amine
CID 159196026
5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
CID 123668808
(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-bromo-2-ethyl-1-fluorobenzene
CID 22641025
4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole
CID 154720157
N-[(4S,6S)-4-(5-bromo-2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
CID 86732116

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one (CID 121296176) is (6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one is CCn1cc2n(c1=O)C[C@@](C)(c1cc(Br)ccc1F)N=C2SC.
What is the InChIKey of (6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is VSCRSXKSQJERIB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17BrFN3OS/c1-4-20-8-13-14(23-3)19-16(2,9-21(13)15(20)22)11-7-10(17)5-6-12(11)18/h5-8H,4,9H2,1-3H3/t16-/m0/s1.
What are the key properties of (6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one?
(6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 398.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 121296176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).