5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine

C14H18BrN3 — CID 117141395

IUPAC5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
SMILESCCN1CCC(Cc2ncc3cccc(Br)n23)C1
InChIInChI=1S/C14H18BrN3/c1-2-17-7-6-11(10-17)8-14-16-9-12-4-3-5-13(15)18(12)14/h3-5,9,11H,2,6-8,10H2,1H3
InChIKeySRLQERJHDZKWDK-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.98
Rot. Bonds3

About 5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine

5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine (PubChem CID 117141395) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
PubChem CID117141395
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
SMILESCCN1CCC(Cc2ncc3cccc(Br)n23)C1
InChIInChI=1S/C14H18BrN3/c1-2-17-7-6-11(10-17)8-14-16-9-12-4-3-5-13(15)18(12)14/h3-5,9,11H,2,6-8,10H2,1H3
InChIKeySRLQERJHDZKWDK-UHFFFAOYSA-N
XLogP2.98
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.98
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-ethylpiperidin-3-yl)methyl]-5-methoxyimidazo[1,5-a]pyridine
CID 117140525
7-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117143904
3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridin-5-amine
CID 117141377
5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117141402
5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117141394
2-(5-bromoimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83843084
5-bromo-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine
CID 117142060
3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117140967
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115090087
3-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146774
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117161335
3-[(1-ethylpiperidin-3-yl)methyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117150169

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine?
The IUPAC name of 5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine (CID 117141395) is 5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine is CCN1CCC(Cc2ncc3cccc(Br)n23)C1.
What is the InChIKey of 5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine?
The InChIKey is SRLQERJHDZKWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-2-17-7-6-11(10-17)8-14-16-9-12-4-3-5-13(15)18(12)14/h3-5,9,11H,2,6-8,10H2,1H3.
What are the key properties of 5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine?
5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine has a molecular weight of 308.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 117141395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).