6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile

C14H16BrN5 — CID 84745059

IUPAC6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(CCN2CCNCC2)n2cc(Br)ccc12
InChIInChI=1S/C14H16BrN5/c15-11-1-2-13-12(9-16)18-14(20(13)10-11)3-6-19-7-4-17-5-8-19/h1-2,10,17H,3-8H2
InChIKeyMRZKBTCLYRVQKL-UHFFFAOYSA-N
MW334.22 g/mol
LogP1.42
Rot. Bonds3

About 6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile

6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 84745059) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID84745059
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(CCN2CCNCC2)n2cc(Br)ccc12
InChIInChI=1S/C14H16BrN5/c15-11-1-2-13-12(9-16)18-14(20(13)10-11)3-6-19-7-4-17-5-8-19/h1-2,10,17H,3-8H2
InChIKeyMRZKBTCLYRVQKL-UHFFFAOYSA-N
XLogP1.42
TPSA56.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile (CID 84745059) is 6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile is N#Cc1nc(CCN2CCNCC2)n2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is MRZKBTCLYRVQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c15-11-1-2-13-12(9-16)18-14(20(13)10-11)3-6-19-7-4-17-5-8-19/h1-2,10,17H,3-8H2.
What are the key properties of 6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 334.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 84745059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).