2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone

C12H14BrN5O — CID 82151816

IUPAC2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cn1cnc2cc(Br)cnc21)N1CCNCC1
InChIInChI=1S/C12H14BrN5O/c13-9-5-10-12(15-6-9)18(8-16-10)7-11(19)17-3-1-14-2-4-17/h5-6,8,14H,1-4,7H2
InChIKeyILALWWADFMFJNA-UHFFFAOYSA-N
MW324.18 g/mol
LogP0.63
Rot. Bonds2

About 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone

2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone (PubChem CID 82151816) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone
PubChem CID82151816
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cn1cnc2cc(Br)cnc21)N1CCNCC1
InChIInChI=1S/C12H14BrN5O/c13-9-5-10-12(15-6-9)18(8-16-10)7-11(19)17-3-1-14-2-4-17/h5-6,8,14H,1-4,7H2
InChIKeyILALWWADFMFJNA-UHFFFAOYSA-N
XLogP0.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid
CID 82061401
6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one
CID 62050317
2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone
CID 175801229
2-(6-bromoimidazo[4,5-b]pyridin-3-yl)ethanol
CID 82150754
3-(6-bromoimidazo[4,5-b]pyridin-3-yl)propan-1-ol
CID 82150912
2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone;dihydrochloride
CID 121226431
1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile
CID 112595168
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone
CID 83968777
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone
CID 167352501
6-bromo-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]quinazolin-4-one
CID 56519020
6-bromo-3-[2-[(3R)-3-methylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 124620535

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone (CID 82151816) is 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone is O=C(Cn1cnc2cc(Br)cnc21)N1CCNCC1.
What is the InChIKey of 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone?
The InChIKey is ILALWWADFMFJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c13-9-5-10-12(15-6-9)18(8-16-10)7-11(19)17-3-1-14-2-4-17/h5-6,8,14H,1-4,7H2.
What are the key properties of 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone?
2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone has a molecular weight of 324.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82151816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).