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

C94H92Br3Cl2N39 — CID 157159050

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

6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 157159050) has the molecular formula C94H92Br3Cl2N39 and a molecular weight of 2078.66 g/mol. Its IUPAC name is 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
• PubChem CID: 157159050
• Molecular Formula: C94H92Br3Cl2N39
• Molecular Weight: 2078.66 g/mol
• Exact Mass: 2073.53
• IUPAC Name: 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
• SMILES: Brc1cn2c(-c3nccc(N4CCCC(C5=CCN=C5)C4)n3)cnc2cn1.Brc1cn2c(-c3nccc(N4CCNC(C5=CCN=C5)C4)n3)cnc2cn1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1CN(c2ccnc(-c3cnc4cnc(Cl)cn34)n2)C(C)C(C2=CCN=C2)N1.Clc1cn2c(-c3nccc(N4CCNC(C5=CCN=C5)C4)n3)cnc2cn1
• InChI: InChI=1S/C20H21ClN8.C19H19BrN8.C19H18BrN7.C18H17BrN8.C18H17ClN8/c1-12-10-28(13(2)19(26-12)14-3-5-22-7-14)17-4-6-23-20(27-17)15-8-25-18-9-24-16(21)11-29(15)18;1-12-18(13-2-4-21-8-13)22-6-7-27(12)16-3-5-23-19(26-16)14-9-25-17-10-24-15(20)11-28(14)17;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;2*19-15-11-27-14(8-24-17(27)9-23-15)18-22-4-2-16(25-18)26-6-5-21-13(10-26)12-1-3-20-7-12/h3-4,6-9,11-13,19,26H,5,10H2,1-2H3;2-3,5,8-12,18,22H,4,6-7H2,1H3;3-4,6,8-10,12,14H,1-2,5,7,11H2;2*1-2,4,7-9,11,13,21H,3,5-6,10H2
• InChIKey: AMDRKGLSSGGYNG-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 405.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2078.66
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

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

The IUPAC name of 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 157159050) is 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

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

The canonical SMILES for 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is Brc1cn2c(-c3nccc(N4CCCC(C5=CCN=C5)C4)n3)cnc2cn1.Brc1cn2c(-c3nccc(N4CCNC(C5=CCN=C5)C4)n3)cnc2cn1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1CN(c2ccnc(-c3cnc4cnc(Cl)cn34)n2)C(C)C(C2=CCN=C2)N1.Clc1cn2c(-c3nccc(N4CCNC(C5=CCN=C5)C4)n3)cnc2cn1.

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

The InChIKey is AMDRKGLSSGGYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN8.C19H19BrN8.C19H18BrN7.C18H17BrN8.C18H17ClN8/c1-12-10-28(13(2)19(26-12)14-3-5-22-7-14)17-4-6-23-20(27-17)15-8-25-18-9-24-16(21)11-29(15)18;1-12-18(13-2-4-21-8-13)22-6-7-27(12)16-3-5-23-19(26-16)14-9-25-17-10-24-15(20)11-28(14)17;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;2*19-15-11-27-14(8-24-17(27)9-23-15)18-22-4-2-16(25-18)26-6-5-21-13(10-26)12-1-3-20-7-12/h3-4,6-9,11-13,19,26H,5,10H2,1-2H3;2-3,5,8-12,18,22H,4,6-7H2,1H3;3-4,6,8-10,12,14H,1-2,5,7,11H2;2*1-2,4,7-9,11,13,21H,3,5-6,10H2.

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

6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 2078.66 g/mol, XLogP of 11.07, 15 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 157159050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).