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

C13H13BrN4 — CID 84744209

IUPAC8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(C2CCCNC2)n2cccc(Br)c12
InChIInChI=1S/C13H13BrN4/c14-10-4-2-6-18-12(10)11(7-15)17-13(18)9-3-1-5-16-8-9/h2,4,6,9,16H,1,3,5,8H2
InChIKeyRCRYGQYORFLMTD-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.44
Rot. Bonds1

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

8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 84744209) has the molecular formula C13H13BrN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is 8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID84744209
Molecular FormulaC13H13BrN4
Molecular Weight305.18 g/mol
Exact Mass304.03
IUPAC Name8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(C2CCCNC2)n2cccc(Br)c12
InChIInChI=1S/C13H13BrN4/c14-10-4-2-6-18-12(10)11(7-15)17-13(18)9-3-1-5-16-8-9/h2,4,6,9,16H,1,3,5,8H2
InChIKeyRCRYGQYORFLMTD-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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Related Compounds

8-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carbonitrile
CID 84744208
8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 84744210
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84743442
8-bromo-1-chloro-3-cyclopropylimidazo[1,5-a]pyridine
CID 83903679
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridin-7-ol
CID 117254078
methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254652
1-bromo-6-methyl-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84743889
methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254701
7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84744295
8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83844511
3,8-dimethyl-2-piperidin-3-ylimidazo[1,2-a]pyridine
CID 115037396
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744775

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile (CID 84744209) is 8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile is N#Cc1nc(C2CCCNC2)n2cccc(Br)c12.
What is the InChIKey of 8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is RCRYGQYORFLMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4/c14-10-4-2-6-18-12(10)11(7-15)17-13(18)9-3-1-5-16-8-9/h2,4,6,9,16H,1,3,5,8H2.
What are the key properties of 8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile?
8-bromo-3-piperidin-3-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-3-ylimidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 84744209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).