bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

C99H96Br2F9N39O — CID 159300050

About bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 159300050) has the molecular formula C99H96Br2F9N39O and a molecular weight of 2178.92 g/mol. Its IUPAC name is bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
• PubChem CID: 159300050
• Molecular Formula: C99H96Br2F9N39O
• Molecular Weight: 2178.92 g/mol
• Exact Mass: 2175.69
• IUPAC Name: bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
• SMILES: CC1CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C(C2=CCC=N2)N1.CC1CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C(C2=CCC=N2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCC=N2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCC=N2)O1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5=NCN=C5)C4)n3)cnc2cn1
• InChI: InChI=1S/2C20H21BrN8.C20H19F3N8.C20H18F3N7O.C19H17F3N8/c2*1-12-10-28(13(2)19(26-12)14-4-3-6-22-14)17-5-7-23-20(27-17)15-8-25-18-9-24-16(21)11-29(15)18;1-12-9-30(10-14(28-12)13-3-2-5-24-13)17-4-6-25-19(29-17)15-7-27-18-8-26-16(11-31(15)18)20(21,22)23;1-12-9-29(10-15(31-12)13-3-2-5-24-13)17-4-6-25-19(28-17)14-7-27-18-8-26-16(11-30(14)18)20(21,22)23;20-19(21,22)15-10-30-14(7-26-17(30)8-25-15)18-24-4-3-16(28-18)29-5-1-2-12(9-29)13-6-23-11-27-13/h2*4-9,11-13,19,26H,3,10H2,1-2H3;3-8,11-12,14,28H,2,9-10H2,1H3;3-8,11-12,15H,2,9-10H2,1H3;3-4,6-8,10,12H,1-2,5,9,11H2
• InChIKey: LBFHJGAFBRFGIE-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 415.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 15
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2178.92
LogP ≤ 5	14.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?

The IUPAC name of bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (CID 159300050) is bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.

What is the SMILES notation for bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?

The canonical SMILES for bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is CC1CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C(C2=CCC=N2)N1.CC1CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C(C2=CCC=N2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCC=N2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCC=N2)O1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5=NCN=C5)C4)n3)cnc2cn1.

What is the InChIKey of bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?

The InChIKey is LBFHJGAFBRFGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H21BrN8.C20H19F3N8.C20H18F3N7O.C19H17F3N8/c2*1-12-10-28(13(2)19(26-12)14-4-3-6-22-14)17-5-7-23-20(27-17)15-8-25-18-9-24-16(21)11-29(15)18;1-12-9-30(10-14(28-12)13-3-2-5-24-13)17-4-6-25-19(29-17)15-7-27-18-8-26-16(11-31(15)18)20(21,22)23;1-12-9-29(10-15(31-12)13-3-2-5-24-13)17-4-6-25-19(28-17)14-7-27-18-8-26-16(11-30(14)18)20(21,22)23;20-19(21,22)15-10-30-14(7-26-17(30)8-25-15)18-24-4-3-16(28-18)29-5-1-2-12(9-29)13-6-23-11-27-13/h2*4-9,11-13,19,26H,3,10H2,1-2H3;3-8,11-12,14,28H,2,9-10H2,1H3;3-8,11-12,15H,2,9-10H2,1H3;3-4,6-8,10,12H,1-2,5,9,11H2.

What are the key properties of bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?

bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 2178.92 g/mol, XLogP of 14.52, 15 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 159300050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).