5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine

C15H20ClN3 — CID 117132335

IUPAC5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
SMILESCCN1CCCC(Cc2cn3c(Cl)cccc3n2)C1
InChIInChI=1S/C15H20ClN3/c1-2-18-8-4-5-12(10-18)9-13-11-19-14(16)6-3-7-15(19)17-13/h3,6-7,11-12H,2,4-5,8-10H2,1H3
InChIKeyJCPZFRXTJUOZQD-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.26
Rot. Bonds3

About 5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine

5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 117132335) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID117132335
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
SMILESCCN1CCCC(Cc2cn3c(Cl)cccc3n2)C1
InChIInChI=1S/C15H20ClN3/c1-2-18-8-4-5-12(10-18)9-13-11-19-14(16)6-3-7-15(19)17-13/h3,6-7,11-12H,2,4-5,8-10H2,1H3
InChIKeyJCPZFRXTJUOZQD-UHFFFAOYSA-N
XLogP3.26
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.26
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

2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117132331
5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132317
2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 117130121
5-methoxy-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132250
2-[(1-ethylpiperidin-4-yl)methyl]-5-methoxyimidazo[1,2-a]pyridine
CID 117131475
3-[(1-ethylpiperidin-3-yl)methyl]pyridazine
CID 117106303
5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117141402
2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117132170
2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132364
[3-[(1-ethylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145787
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117131424
[3-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145785

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine (CID 117132335) is 5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine is CCN1CCCC(Cc2cn3c(Cl)cccc3n2)C1.
What is the InChIKey of 5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is JCPZFRXTJUOZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-2-18-8-4-5-12(10-18)9-13-11-19-14(16)6-3-7-15(19)17-13/h3,6-7,11-12H,2,4-5,8-10H2,1H3.
What are the key properties of 5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine?
5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 277.80 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 117132335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).