1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C15H20BrN3O2 — CID 163235685

IUPAC1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C34CCC(CC3)OC4)nc(Br)c2C1
InChIInChI=1S/C15H20BrN3O2/c1-10(20)18-6-7-19-12(8-18)13(16)17-14(19)15-4-2-11(3-5-15)21-9-15/h11H,2-9H2,1H3
InChIKeyABLHCVGIYNOKJJ-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.22
Rot. Bonds1

About 1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 163235685) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID163235685
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C34CCC(CC3)OC4)nc(Br)c2C1
InChIInChI=1S/C15H20BrN3O2/c1-10(20)18-6-7-19-12(8-18)13(16)17-14(19)15-4-2-11(3-5-15)21-9-15/h11H,2-9H2,1H3
InChIKeyABLHCVGIYNOKJJ-UHFFFAOYSA-N
XLogP2.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
CID 139530360
1-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-chloroethanone
CID 154879593
4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde
CID 139543526
1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 130841879
1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 118489351
1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 110684804
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
1-(4-sulfanylpiperidin-1-yl)ethanone
CID 91167607
1-(4-bromopiperidin-1-yl)ethanone
CID 22894003
1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 84604743
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
tert-butyl 3-(5-acetyl-3-bromo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)pyrrolidine-1-carboxylate
CID 121376962

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 163235685) is 1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C34CCC(CC3)OC4)nc(Br)c2C1.
What is the InChIKey of 1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is ABLHCVGIYNOKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-10(20)18-6-7-19-12(8-18)13(16)17-14(19)15-4-2-11(3-5-15)21-9-15/h11H,2-9H2,1H3.
What are the key properties of 1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 354.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-3-(2-oxabicyclo[2.2.2]octan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 163235685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).