2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine

C14H18BrN5 — CID 79954339

IUPAC2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
SMILESBrc1cn2ccnc2c(N2CCCN3CCCC3C2)n1
InChIInChI=1S/C14H18BrN5/c15-12-10-20-8-4-16-13(20)14(17-12)19-7-2-6-18-5-1-3-11(18)9-19/h4,8,10-11H,1-3,5-7,9H2
InChIKeyDREVJIOOUNKNPG-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.17
Rot. Bonds1

About 2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine

2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (PubChem CID 79954339) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
PubChem CID79954339
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
SMILESBrc1cn2ccnc2c(N2CCCN3CCCC3C2)n1
InChIInChI=1S/C14H18BrN5/c15-12-10-20-8-4-16-13(20)14(17-12)19-7-2-6-18-5-1-3-11(18)9-19/h4,8,10-11H,1-3,5-7,9H2
InChIKeyDREVJIOOUNKNPG-UHFFFAOYSA-N
XLogP2.17
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine with MolForge

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Related Compounds

6-bromo-8-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyrazine
CID 79954159
6-bromo-8-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyrazine
CID 79959027
6-bromo-8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazine
CID 79956302
8-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromoimidazo[1,2-a]pyrazine
CID 79946748
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
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
8-(azetidin-1-yl)imidazo[1,2-a]pyrazin-6-amine
CID 130548707
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromopyridin-3-amine
CID 79535543
6-bromo-N-(1-cyclopropylpyrrolidin-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79947242
1-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-ol
CID 80778779

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine?
The IUPAC name of 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) is 2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine.
What is the SMILES notation for 2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine?
The canonical SMILES for 2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine is Brc1cn2ccnc2c(N2CCCN3CCCC3C2)n1.
What is the InChIKey of 2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine?
The InChIKey is DREVJIOOUNKNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c15-12-10-20-8-4-16-13(20)14(17-12)19-7-2-6-18-5-1-3-11(18)9-19/h4,8,10-11H,1-3,5-7,9H2.
What are the key properties of 2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine?
2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine has a molecular weight of 336.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine is sourced from PubChem (CID 79954339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).