6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine

C13H17BrN4 — CID 79959027

IUPAC6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine
SMILESCCC1CCCN(c2nc(Br)cn3ccnc23)C1
InChIInChI=1S/C13H17BrN4/c1-2-10-4-3-6-17(8-10)13-12-15-5-7-18(12)9-11(14)16-13/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyMTQAVSWCKOBACI-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.12
Rot. Bonds2

About 6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine

6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine (PubChem CID 79959027) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine
PubChem CID79959027
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine
SMILESCCC1CCCN(c2nc(Br)cn3ccnc23)C1
InChIInChI=1S/C13H17BrN4/c1-2-10-4-3-6-17(8-10)13-12-15-5-7-18(12)9-11(14)16-13/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyMTQAVSWCKOBACI-UHFFFAOYSA-N
XLogP3.12
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79954339
8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine
CID 80837824
6-bromo-8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazine
CID 79956302
6-bromo-8-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyrazine
CID 79954159
4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylmorpholine
CID 79955406
4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine
CID 79946928
8-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromoimidazo[1,2-a]pyrazine
CID 79946748
1-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-ol
CID 80778779
4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,4-thiazinane 1-oxide
CID 79958259
2-[4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-1,3-thiazole
CID 79953088
[1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784075
N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine
CID 80844191

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine (CID 79959027) is 6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine is CCC1CCCN(c2nc(Br)cn3ccnc23)C1.
What is the InChIKey of 6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine?
The InChIKey is MTQAVSWCKOBACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-2-10-4-3-6-17(8-10)13-12-15-5-7-18(12)9-11(14)16-13/h5,7,9-10H,2-4,6,8H2,1H3.
What are the key properties of 6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine?
6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine has a molecular weight of 309.21 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 79959027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).