8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine

C13H17BrN4 — CID 84744350

IUPAC8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine
SMILESBrc1cccn2c(CCN3CCNCC3)ncc12
InChIInChI=1S/C13H17BrN4/c14-11-2-1-6-18-12(11)10-16-13(18)3-7-17-8-4-15-5-9-17/h1-2,6,10,15H,3-5,7-9H2
InChIKeyGLGBCQLWGCSESP-UHFFFAOYSA-N
MW309.21 g/mol
LogP1.54
Rot. Bonds3

About 8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine

8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine (PubChem CID 84744350) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine
PubChem CID84744350
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine
SMILESBrc1cccn2c(CCN3CCNCC3)ncc12
InChIInChI=1S/C13H17BrN4/c14-11-2-1-6-18-12(11)10-16-13(18)3-7-17-8-4-15-5-9-17/h1-2,6,10,15H,3-5,7-9H2
InChIKeyGLGBCQLWGCSESP-UHFFFAOYSA-N
XLogP1.54
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridin-8-amine
CID 117147298
8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine
CID 117147281
3-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147787
1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine
CID 84712711
3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 105489731
7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole
CID 82667842
4-(2-imidazo[1,5-a]pyridin-3-ylethyl)morpholine
CID 68830016
6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 84745059
7-bromo-3-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine
CID 117144852
1-[4-(2-bromophenoxy)butyl]piperazine
CID 2944247
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
CID 117188331

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine (CID 84744350) is 8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine is Brc1cccn2c(CCN3CCNCC3)ncc12.
What is the InChIKey of 8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine?
The InChIKey is GLGBCQLWGCSESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c14-11-2-1-6-18-12(11)10-16-13(18)3-7-17-8-4-15-5-9-17/h1-2,6,10,15H,3-5,7-9H2.
What are the key properties of 8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine?
8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine has a molecular weight of 309.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 84744350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).