1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one

C13H14BrFN4O2 — CID 145329729

IUPAC1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one
SMILESCCC1(F)CN(C(=O)Cn2ccn3cnc(Br)c3c2=O)C1
InChIInChI=1S/C13H14BrFN4O2/c1-2-13(15)6-19(7-13)9(20)5-17-3-4-18-8-16-11(14)10(18)12(17)21/h3-4,8H,2,5-7H2,1H3
InChIKeyTXPIGSUPLSQJOG-UHFFFAOYSA-N
MW357.18 g/mol
LogP1.22
Rot. Bonds3

About 1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one

1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one (PubChem CID 145329729) has the molecular formula C13H14BrFN4O2 and a molecular weight of 357.18 g/mol. Its IUPAC name is 1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one
PubChem CID145329729
Molecular FormulaC13H14BrFN4O2
Molecular Weight357.18 g/mol
Exact Mass356.03
IUPAC Name1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one
SMILESCCC1(F)CN(C(=O)Cn2ccn3cnc(Br)c3c2=O)C1
InChIInChI=1S/C13H14BrFN4O2/c1-2-13(15)6-19(7-13)9(20)5-17-3-4-18-8-16-11(14)10(18)12(17)21/h3-4,8H,2,5-7H2,1H3
InChIKeyTXPIGSUPLSQJOG-UHFFFAOYSA-N
XLogP1.22
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66309620
tert-butyl 3-bromo-4-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine-1-carboxylate
CID 129219681
8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one
CID 129227474
8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one
CID 129227475
1-(3-chloro-4-fluorophenyl)-7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methylimidazo[1,5-a]pyrazin-8-one;2-[1-(3-chloro-4-fluorophenyl)-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl]acetic acid;3-fluoro-3-methylazetidine;hydrochloride
CID 161377461
3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227694
(5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97133028
6-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrido[3,4-b]pyrazin-5-one
CID 154771199
3-bromo-5-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-1H-pyrrolo[3,2-c]pyridin-4-one;ethane
CID 145329666
6-bromo-3-[2-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 124612752
6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119561032
2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
CID 107210649

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one (CID 145329729) is 1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one is CCC1(F)CN(C(=O)Cn2ccn3cnc(Br)c3c2=O)C1.
What is the InChIKey of 1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one?
The InChIKey is TXPIGSUPLSQJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O2/c1-2-13(15)6-19(7-13)9(20)5-17-3-4-18-8-16-11(14)10(18)12(17)21/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one?
1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one has a molecular weight of 357.18 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-[2-(3-ethyl-3-fluoroazetidin-1-yl)-2-oxoethyl]imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 145329729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).