5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine

C13H16BrN3 — CID 117141623

IUPAC5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine
SMILESCN1CCCCC1c1ncc2cccc(Br)n12
InChIInChI=1S/C13H16BrN3/c1-16-8-3-2-6-11(16)13-15-9-10-5-4-7-12(14)17(10)13/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeyXTCCGFRSOUNBJS-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.25
Rot. Bonds1

About 5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine

5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine (PubChem CID 117141623) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine
PubChem CID117141623
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine
SMILESCN1CCCCC1c1ncc2cccc(Br)n12
InChIInChI=1S/C13H16BrN3/c1-16-8-3-2-6-11(16)13-15-9-10-5-4-7-12(14)17(10)13/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeyXTCCGFRSOUNBJS-UHFFFAOYSA-N
XLogP3.25
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142621
[3-(1-methylpyrrolidin-2-yl)imidazo[1,5-a]pyridin-5-yl]methanamine
CID 117140760
6-methyl-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine
CID 117139154
[3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138269
3-(1-propan-2-ylpiperidin-2-yl)imidazo[1,5-a]pyridin-5-ol
CID 117141639
[3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145740
2-bromo-6-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 124641952
[3-(1-methylpyrrolidin-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143272
3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117148554
3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridin-5-ol
CID 117141571
5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117140470
1-methyl-2-phenylazepane
CID 23447707

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine (CID 117141623) is 5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine is CN1CCCCC1c1ncc2cccc(Br)n12.
What is the InChIKey of 5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine?
The InChIKey is XTCCGFRSOUNBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-16-8-3-2-6-11(16)13-15-9-10-5-4-7-12(14)17(10)13/h4-5,7,9,11H,2-3,6,8H2,1H3.
What are the key properties of 5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine?
5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine has a molecular weight of 294.20 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117141623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).