About bis(6-bromo-3-[4-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);tris(6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine)
bis(6-bromo-3-[4-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);tris(6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine) (PubChem CID 159404799) has the molecular formula C95H92Br5N37
and a molecular weight of 2151.56 g/mol. Its IUPAC name is bis(6-bromo-3-[4-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);tris(6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine).
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Frequently Asked Questions
What is the IUPAC name of bis(6-bromo-3-[4-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);tris(6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine)?
The IUPAC name of bis(6-bromo-3-[4-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);tris(6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine) (CID 159404799) is bis(6-bromo-3-[4-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);tris(6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine).
What is the SMILES notation for bis(6-bromo-3-[4-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);tris(6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine)?
The canonical SMILES for bis(6-bromo-3-[4-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);tris(6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine) is Brc1cn2c(-c3nccc(N4CCCC(C5=CCN=C5)C4)n3)cnc2cn1.Brc1cn2c(-c3nccc(N4CCCC(C5=CCN=C5)C4)n3)cnc2cn1.Brc1cn2c(-c3nccc(N4CCCC(C5=CCN=C5)C4)n3)cnc2cn1.CC1CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)CC(C2=CCN=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)CC(C2=CCN=C2)N1.
What is the InChIKey of bis(6-bromo-3-[4-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);tris(6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine)?
The InChIKey is LNUULNVSDCLMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19BrN8.3C19H18BrN7/c2*1-12-9-27(10-14(25-12)13-2-4-21-6-13)17-3-5-22-19(26-17)15-7-24-18-8-23-16(20)11-28(15)18;3*20-16-12-27-15(9-24-18(27)10-23-16)19-22-6-4-17(25-19)26-7-1-2-14(11-26)13-3-5-21-8-13/h2*2-3,5-8,11-12,14,25H,4,9-10H2,1H3;3*3-4,6,8-10,12,14H,1-2,5,7,11H2.
What are the key properties of bis(6-bromo-3-[4-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);tris(6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine)?
bis(6-bromo-3-[4-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);tris(6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine) has a molecular weight of 2151.56 g/mol, XLogP of 13.78, 15 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-bromo-3-[4-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);tris(6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine) is sourced from PubChem (CID 159404799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).