6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

C19H21BrN6O — CID 142798303

IUPAC6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nc(Br)cn2c(-c3ccc(N4CCN(C5COC5)CC4)cc3)cnc12
InChIInChI=1S/C19H21BrN6O/c20-17-10-26-16(9-22-19(26)18(21)23-17)13-1-3-14(4-2-13)24-5-7-25(8-6-24)15-11-27-12-15/h1-4,9-10,15H,5-8,11-12H2,(H2,21,23)
InChIKeyJKPKJYQTNZUVHX-UHFFFAOYSA-N
MW429.32 g/mol
LogP2.26
Rot. Bonds3

About 6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 142798303) has the molecular formula C19H21BrN6O and a molecular weight of 429.32 g/mol. Its IUPAC name is 6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID142798303
Molecular FormulaC19H21BrN6O
Molecular Weight429.32 g/mol
Exact Mass428.10
IUPAC Name6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nc(Br)cn2c(-c3ccc(N4CCN(C5COC5)CC4)cc3)cnc12
InChIInChI=1S/C19H21BrN6O/c20-17-10-26-16(9-22-19(26)18(21)23-17)13-1-3-14(4-2-13)24-5-7-25(8-6-24)15-11-27-12-15/h1-4,9-10,15H,5-8,11-12H2,(H2,21,23)
InChIKeyJKPKJYQTNZUVHX-UHFFFAOYSA-N
XLogP2.26
TPSA71.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(6-aminopyrazin-2-yl)-2-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 142796692
acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
CID 145054361
5-(6-aminopyrazin-2-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 155635343
(9aS)-8-(4-bromophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 170554889
4-chloro-6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118537783
N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
CID 141373821
5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
CID 152621698
[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate
CID 140706916
(9aS)-8-(4-methylphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 171622300
methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 172753640
acetylene;1-[1-[(Z)-2-(aminomethyl)-3-hydroxyprop-1-enyl]-3-[[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrazol-4-yl]ethanone;ethane
CID 145054357
6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 168821272

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 142798303) is 6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is Nc1nc(Br)cn2c(-c3ccc(N4CCN(C5COC5)CC4)cc3)cnc12.
What is the InChIKey of 6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is JKPKJYQTNZUVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN6O/c20-17-10-26-16(9-22-19(26)18(21)23-17)13-1-3-14(4-2-13)24-5-7-25(8-6-24)15-11-27-12-15/h1-4,9-10,15H,5-8,11-12H2,(H2,21,23).
What are the key properties of 6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 429.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 142798303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).