1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol

C14H21BrN5O2+ — CID 71074953

IUPAC1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol
SMILESCC(=O)N1CCN(C2=C3C=NC=C[N+]3(C)C(Br)=N2)CC1.CO
InChIInChI=1S/C13H17BrN5O.CH4O/c1-10(20)17-4-6-18(7-5-17)12-11-9-15-3-8-19(11,2)13(14)16-12;1-2/h3,8-9H,4-7H2,1-2H3;2H,1H3/q+1;
InChIKeyNVBQEZQHYFBJNB-UHFFFAOYSA-N
MW371.26 g/mol
LogP0.69
Rot. Bonds1

About 1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol

1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol (PubChem CID 71074953) has the molecular formula C14H21BrN5O2+ and a molecular weight of 371.26 g/mol. Its IUPAC name is 1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol.

Molecular Properties

Compound Name1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol
PubChem CID71074953
Molecular FormulaC14H21BrN5O2+
Molecular Weight371.26 g/mol
Exact Mass370.09
IUPAC Name1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol
SMILESCC(=O)N1CCN(C2=C3C=NC=C[N+]3(C)C(Br)=N2)CC1.CO
InChIInChI=1S/C13H17BrN5O.CH4O/c1-10(20)17-4-6-18(7-5-17)12-11-9-15-3-8-19(11,2)13(14)16-12;1-2/h3,8-9H,4-7H2,1-2H3;2H,1H3/q+1;
InChIKeyNVBQEZQHYFBJNB-UHFFFAOYSA-N
XLogP0.69
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol 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-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidin-4-one;dichloromethane
CID 89252028
1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone
CID 67363171
N-[4-[1-(4-acetylpiperazin-1-yl)-4-methylimidazo[1,5-a]pyrazin-4-ium-3-yl]-2-methoxyphenyl]-4-methoxy-1-methylindole-2-carboxamide
CID 87370915
1-[4-[3-(4-amino-3-iodoimidazo[1,5-a]pyrazin-4-ium-1-yl)cyclobutyl]piperazin-1-yl]ethanone
CID 66676532
4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium
CID 67364893
3-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)pyrrolidine-1-carboxylate
CID 67364195
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylate
CID 67393988
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109302025

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol?
The IUPAC name of 1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol (CID 71074953) is 1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol.
What is the SMILES notation for 1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol?
The canonical SMILES for 1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol is CC(=O)N1CCN(C2=C3C=NC=C[N+]3(C)C(Br)=N2)CC1.CO.
What is the InChIKey of 1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol?
The InChIKey is NVBQEZQHYFBJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN5O.CH4O/c1-10(20)17-4-6-18(7-5-17)12-11-9-15-3-8-19(11,2)13(14)16-12;1-2/h3,8-9H,4-7H2,1-2H3;2H,1H3/q+1;.
What are the key properties of 1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol?
1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol has a molecular weight of 371.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol is sourced from PubChem (CID 71074953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).