1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone

C15H18BrN7O — CID 123773057

IUPAC1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(N=[N+]=[N-])c2ccc(Br)c3cncn23)CC1
InChIInChI=1S/C15H18BrN7O/c1-11(24)22-6-4-21(5-7-22)9-13(19-20-17)14-3-2-12(16)15-8-18-10-23(14)15/h2-3,8,10,13H,4-7,9H2,1H3
InChIKeyKTZVIEWKSPPMFY-UHFFFAOYSA-N
MW392.26 g/mol
LogP2.61
Rot. Bonds4

About 1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone

1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 123773057) has the molecular formula C15H18BrN7O and a molecular weight of 392.26 g/mol. Its IUPAC name is 1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID123773057
Molecular FormulaC15H18BrN7O
Molecular Weight392.26 g/mol
Exact Mass391.08
IUPAC Name1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(N=[N+]=[N-])c2ccc(Br)c3cncn23)CC1
InChIInChI=1S/C15H18BrN7O/c1-11(24)22-6-4-21(5-7-22)9-13(19-20-17)14-3-2-12(16)15-8-18-10-23(14)15/h2-3,8,10,13H,4-7,9H2,1H3
InChIKeyKTZVIEWKSPPMFY-UHFFFAOYSA-N
XLogP2.61
TPSA89.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-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-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone
CID 123274834
1-[4-[2-(3-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 110885594
1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]ethanone
CID 95285863
1-[4-(3-bromo-2-methylpropyl)piperazin-1-yl]ethanone
CID 64996028
1-[4-(2-aminopropyl)piperazin-1-yl]ethanone
CID 16787068
1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 82216623
1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone
CID 55206182
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95606856
(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114371674
1-[4-(2-azidophenyl)piperazin-1-yl]ethanone
CID 151820307
(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326223
1-[4-[[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone
CID 166375113

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone (CID 123773057) is 1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CC(N=[N+]=[N-])c2ccc(Br)c3cncn23)CC1.
What is the InChIKey of 1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is KTZVIEWKSPPMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN7O/c1-11(24)22-6-4-21(5-7-22)9-13(19-20-17)14-3-2-12(16)15-8-18-10-23(14)15/h2-3,8,10,13H,4-7,9H2,1H3.
What are the key properties of 1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone?
1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 392.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 123773057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).