1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine

C14H18BrN3 — CID 84744309

IUPAC1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine
SMILESCc1cccc2c(Br)nc(C3CCN(C)CC3)n12
InChIInChI=1S/C14H18BrN3/c1-10-4-3-5-12-13(15)16-14(18(10)12)11-6-8-17(2)9-7-11/h3-5,11H,6-9H2,1-2H3
InChIKeyWXIBFOCYFXYAOC-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.21
Rot. Bonds1

About 1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine

1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine (PubChem CID 84744309) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine
PubChem CID84744309
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine
SMILESCc1cccc2c(Br)nc(C3CCN(C)CC3)n12
InChIInChI=1S/C14H18BrN3/c1-10-4-3-5-12-13(15)16-14(18(10)12)11-6-8-17(2)9-7-11/h3-5,11H,6-9H2,1-2H3
InChIKeyWXIBFOCYFXYAOC-UHFFFAOYSA-N
XLogP3.21
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine (CID 84744309) is 1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine is Cc1cccc2c(Br)nc(C3CCN(C)CC3)n12.
What is the InChIKey of 1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine?
The InChIKey is WXIBFOCYFXYAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-10-4-3-5-12-13(15)16-14(18(10)12)11-6-8-17(2)9-7-11/h3-5,11H,6-9H2,1-2H3.
What are the key properties of 1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine?
1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine has a molecular weight of 308.22 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 84744309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).