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

C15H20BrN3 — CID 123807348

IUPAC6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine
SMILESCC1CCCN(CCc2cn3cc(Br)ccc3n2)C1
InChIInChI=1S/C15H20BrN3/c1-12-3-2-7-18(9-12)8-6-14-11-19-10-13(16)4-5-15(19)17-14/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyPITPJXBKKJDWMX-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.37
Rot. Bonds3

About 6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine

6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine (PubChem CID 123807348) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine
PubChem CID123807348
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine
SMILESCC1CCCN(CCc2cn3cc(Br)ccc3n2)C1
InChIInChI=1S/C15H20BrN3/c1-12-3-2-7-18(9-12)8-6-14-11-19-10-13(16)4-5-15(19)17-14/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyPITPJXBKKJDWMX-UHFFFAOYSA-N
XLogP3.37
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine (CID 123807348) is 6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine is CC1CCCN(CCc2cn3cc(Br)ccc3n2)C1.
What is the InChIKey of 6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine?
The InChIKey is PITPJXBKKJDWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-12-3-2-7-18(9-12)8-6-14-11-19-10-13(16)4-5-15(19)17-14/h4-5,10-12H,2-3,6-9H2,1H3.
What are the key properties of 6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine?
6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine has a molecular weight of 322.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 123807348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).