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

C104H106Br3ClF3N37O — CID 162204550

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

6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[5-(2-propan-2-yl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2-propan-2-yl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]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 162204550) has the molecular formula C104H106Br3ClF3N37O and a molecular weight of 2222.41 g/mol. Its IUPAC name is 6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[5-(2-propan-2-yl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2-propan-2-yl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]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: 6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[5-(2-propan-2-yl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2-propan-2-yl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]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: 162204550
• Molecular Formula: C104H106Br3ClF3N37O
• Molecular Weight: 2222.41 g/mol
• Exact Mass: 2217.66
• IUPAC Name: 6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[5-(2-propan-2-yl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2-propan-2-yl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]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: CC(C)C1=NC(C2=CCCN(c3ccnc(-c4cnc5cnc(Br)cn45)n3)C2)=CC1.CC(C)C1=NC(C2CCCN(c3ccnc(-c4cnc5cnc(Br)cn45)n3)C2)=CC1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCC=N2)O1.CC1CN(c2nccc(-c3cnc4cnc(Br)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1CN(c2nccc(-c3cnc4cnc(Cl)cn34)n2)C(C)C(C2=CCN=C2)N1
• InChI: InChI=1S/C22H24BrN7.C22H22BrN7.C20H21BrN8.C20H21ClN8.C20H18F3N7O/c2*1-14(2)16-5-6-17(27-16)15-4-3-9-29(12-15)20-7-8-24-22(28-20)18-10-26-21-11-25-19(23)13-30(18)21;2*1-12-10-28(13(2)19(26-12)14-3-5-22-7-14)20-23-6-4-15(27-20)16-8-25-18-9-24-17(21)11-29(16)18;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/h6-8,10-11,13-15H,3-5,9,12H2,1-2H3;4,6-8,10-11,13-14H,3,5,9,12H2,1-2H3;2*3-4,6-9,11-13,19,26H,5,10H2,1-2H3;3-8,11-12,15H,2,9-10H2,1H3
• InChIKey: ZSACBKKHVHAOSM-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 391.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 17
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2222.41
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[5-(2-propan-2-yl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2-propan-2-yl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]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 6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[5-(2-propan-2-yl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2-propan-2-yl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]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 162204550) is 6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[5-(2-propan-2-yl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2-propan-2-yl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]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 6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[5-(2-propan-2-yl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2-propan-2-yl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]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 6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[5-(2-propan-2-yl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2-propan-2-yl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]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 CC(C)C1=NC(C2=CCCN(c3ccnc(-c4cnc5cnc(Br)cn45)n3)C2)=CC1.CC(C)C1=NC(C2CCCN(c3ccnc(-c4cnc5cnc(Br)cn45)n3)C2)=CC1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCC=N2)O1.CC1CN(c2nccc(-c3cnc4cnc(Br)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1CN(c2nccc(-c3cnc4cnc(Cl)cn34)n2)C(C)C(C2=CCN=C2)N1.

What is the InChIKey of 6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[5-(2-propan-2-yl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2-propan-2-yl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]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 ZSACBKKHVHAOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN7.C22H22BrN7.C20H21BrN8.C20H21ClN8.C20H18F3N7O/c2*1-14(2)16-5-6-17(27-16)15-4-3-9-29(12-15)20-7-8-24-22(28-20)18-10-26-21-11-25-19(23)13-30(18)21;2*1-12-10-28(13(2)19(26-12)14-3-5-22-7-14)20-23-6-4-15(27-20)16-8-25-18-9-24-17(21)11-29(16)18;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/h6-8,10-11,13-15H,3-5,9,12H2,1-2H3;4,6-8,10-11,13-14H,3,5,9,12H2,1-2H3;2*3-4,6-9,11-13,19,26H,5,10H2,1-2H3;3-8,11-12,15H,2,9-10H2,1H3.

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

6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[5-(2-propan-2-yl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2-propan-2-yl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]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 2222.41 g/mol, XLogP of 17.10, 17 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[5-(2-propan-2-yl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2-propan-2-yl-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]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 162204550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).