8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile

C13H13BrN4 — CID 84744208

IUPAC8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(C2CCNCC2)n2cccc(Br)c12
InChIInChI=1S/C13H13BrN4/c14-10-2-1-7-18-12(10)11(8-15)17-13(18)9-3-5-16-6-4-9/h1-2,7,9,16H,3-6H2
InChIKeyVUYUPLUNIOPLDJ-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.44
Rot. Bonds1

About 8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile

8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 84744208) has the molecular formula C13H13BrN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is 8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID84744208
Molecular FormulaC13H13BrN4
Molecular Weight305.18 g/mol
Exact Mass304.03
IUPAC Name8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(C2CCNCC2)n2cccc(Br)c12
InChIInChI=1S/C13H13BrN4/c14-10-2-1-7-18-12(10)11(8-15)17-13(18)9-3-5-16-6-4-9/h1-2,7,9,16H,3-6H2
InChIKeyVUYUPLUNIOPLDJ-UHFFFAOYSA-N
XLogP2.44
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile (CID 84744208) is 8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile is N#Cc1nc(C2CCNCC2)n2cccc(Br)c12.
What is the InChIKey of 8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is VUYUPLUNIOPLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4/c14-10-2-1-7-18-12(10)11(8-15)17-13(18)9-3-5-16-6-4-9/h1-2,7,9,16H,3-6H2.
What are the key properties of 8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile?
8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 305.18 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 84744208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).