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

C98H99Br5N38 — CID 158593122

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

bis(6-bromo-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(6-bromo-3-[4-[3-(2-methyl-3H-pyrrol-5-yl)piperidin-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 (PubChem CID 158593122) has the molecular formula C98H99Br5N38 and a molecular weight of 2208.66 g/mol. Its IUPAC name is bis(6-bromo-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(6-bromo-3-[4-[3-(2-methyl-3H-pyrrol-5-yl)piperidin-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.

Molecular Properties

• Compound Name: bis(6-bromo-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(6-bromo-3-[4-[3-(2-methyl-3H-pyrrol-5-yl)piperidin-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
• PubChem CID: 158593122
• Molecular Formula: C98H99Br5N38
• Molecular Weight: 2208.66 g/mol
• Exact Mass: 2202.48
• IUPAC Name: bis(6-bromo-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(6-bromo-3-[4-[3-(2-methyl-3H-pyrrol-5-yl)piperidin-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
• SMILES: Brc1cn2c(-c3nccc(N4CCNC(C5=CCN=C5)C4)n3)cnc2cn1.CC1=NC(C2CCCN(c3ccnc(-c4cnc5cnc(Br)cn45)n3)C2)=CC1.CC1=NC(C2CCCN(c3ccnc(-c4cnc5cnc(Br)cn45)n3)C2)=CC1.CC1CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C(C2=CCN=C2)N1
• InChI: InChI=1S/2C20H21BrN8.2C20H20BrN7.C18H17BrN8/c2*1-12-10-28(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;2*1-13-4-5-15(25-13)14-3-2-8-27(11-14)18-6-7-22-20(26-18)16-9-24-19-10-23-17(21)12-28(16)19;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/h2*3-4,6-9,11-13,19,26H,5,10H2,1-2H3;2*5-7,9-10,12,14H,2-4,8,11H2,1H3;1-2,4,7-9,11,13,21H,3,5-6,10H2
• InChIKey: HURNNZUZFSXMCB-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 393.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2208.66
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

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

The IUPAC name of bis(6-bromo-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(6-bromo-3-[4-[3-(2-methyl-3H-pyrrol-5-yl)piperidin-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 (CID 158593122) is bis(6-bromo-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(6-bromo-3-[4-[3-(2-methyl-3H-pyrrol-5-yl)piperidin-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.

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

The canonical SMILES for bis(6-bromo-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(6-bromo-3-[4-[3-(2-methyl-3H-pyrrol-5-yl)piperidin-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 is Brc1cn2c(-c3nccc(N4CCNC(C5=CCN=C5)C4)n3)cnc2cn1.CC1=NC(C2CCCN(c3ccnc(-c4cnc5cnc(Br)cn45)n3)C2)=CC1.CC1=NC(C2CCCN(c3ccnc(-c4cnc5cnc(Br)cn45)n3)C2)=CC1.CC1CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C(C2=CCN=C2)N1.

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

The InChIKey is HURNNZUZFSXMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H21BrN8.2C20H20BrN7.C18H17BrN8/c2*1-12-10-28(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;2*1-13-4-5-15(25-13)14-3-2-8-27(11-14)18-6-7-22-20(26-18)16-9-24-19-10-23-17(21)12-28(16)19;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/h2*3-4,6-9,11-13,19,26H,5,10H2,1-2H3;2*5-7,9-10,12,14H,2-4,8,11H2,1H3;1-2,4,7-9,11,13,21H,3,5-6,10H2.

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

bis(6-bromo-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(6-bromo-3-[4-[3-(2-methyl-3H-pyrrol-5-yl)piperidin-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 has a molecular weight of 2208.66 g/mol, XLogP of 14.59, 15 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-bromo-3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(6-bromo-3-[4-[3-(2-methyl-3H-pyrrol-5-yl)piperidin-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 is sourced from PubChem (CID 158593122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).