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

C100H102Br3ClF3N39 — CID 161199238

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

6-bromo-3-[4-[3,3-dimethyl-5-(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-(2-methyl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 161199238) has the molecular formula C100H102Br3ClF3N39 and a molecular weight of 2182.35 g/mol. Its IUPAC name is 6-bromo-3-[4-[3,3-dimethyl-5-(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-(2-methyl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 6-bromo-3-[4-[3,3-dimethyl-5-(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-(2-methyl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
• PubChem CID: 161199238
• Molecular Formula: C100H102Br3ClF3N39
• Molecular Weight: 2182.35 g/mol
• Exact Mass: 2177.64
• IUPAC Name: 6-bromo-3-[4-[3,3-dimethyl-5-(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-(2-methyl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
• SMILES: CC1(C)CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)CC(C2=CCN=C2)N1.CC1(C)CN(c2ccnc(-c3cnc4cnc(Cl)cn34)n2)CC(C2=CCN=C2)N1.CC1=NC(C2CCCN(c3ccnc(-c4cnc5cnc(Br)cn45)n3)C2)=CC1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCC=N2)N1
• InChI: InChI=1S/C21H21F3N8.C20H21BrN8.C20H20BrN7.C20H21ClN8.C19H19BrN8/c1-12-10-31(13(2)19(29-12)14-4-3-6-25-14)17-5-7-26-20(30-17)15-8-28-18-9-27-16(11-32(15)18)21(22,23)24;1-20(2)12-28(10-14(27-20)13-3-5-22-7-13)17-4-6-23-19(26-17)15-8-25-18-9-24-16(21)11-29(15)18;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;1-20(2)12-28(10-14(27-20)13-3-5-22-7-13)17-4-6-23-19(26-17)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/h4-9,11-13,19,29H,3,10H2,1-2H3;3-4,6-9,11,14,27H,5,10,12H2,1-2H3;5-7,9-10,12,14H,2-4,8,11H2,1H3;3-4,6-9,11,14,27H,5,10,12H2,1-2H3;2-3,5,8-12,18,22H,4,6-7H2,1H3
• InChIKey: UUTJIIHBPOJDFJ-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 405.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2182.35
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

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

The IUPAC name of 6-bromo-3-[4-[3,3-dimethyl-5-(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-(2-methyl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 161199238) is 6-bromo-3-[4-[3,3-dimethyl-5-(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-(2-methyl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

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

The canonical SMILES for 6-bromo-3-[4-[3,3-dimethyl-5-(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-(2-methyl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC1(C)CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)CC(C2=CCN=C2)N1.CC1(C)CN(c2ccnc(-c3cnc4cnc(Cl)cn34)n2)CC(C2=CCN=C2)N1.CC1=NC(C2CCCN(c3ccnc(-c4cnc5cnc(Br)cn45)n3)C2)=CC1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCC=N2)N1.

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

The InChIKey is UUTJIIHBPOJDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N8.C20H21BrN8.C20H20BrN7.C20H21ClN8.C19H19BrN8/c1-12-10-31(13(2)19(29-12)14-4-3-6-25-14)17-5-7-26-20(30-17)15-8-28-18-9-27-16(11-32(15)18)21(22,23)24;1-20(2)12-28(10-14(27-20)13-3-5-22-7-13)17-4-6-23-19(26-17)15-8-25-18-9-24-16(21)11-29(15)18;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;1-20(2)12-28(10-14(27-20)13-3-5-22-7-13)17-4-6-23-19(26-17)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/h4-9,11-13,19,29H,3,10H2,1-2H3;3-4,6-9,11,14,27H,5,10,12H2,1-2H3;5-7,9-10,12,14H,2-4,8,11H2,1H3;3-4,6-9,11,14,27H,5,10,12H2,1-2H3;2-3,5,8-12,18,22H,4,6-7H2,1H3.

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

6-bromo-3-[4-[3,3-dimethyl-5-(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-(2-methyl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 2182.35 g/mol, XLogP of 14.08, 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-[3,3-dimethyl-5-(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-(2-methyl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 161199238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).