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

C101H98BrClF6N40O — CID 158164188

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

6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one (PubChem CID 158164188) has the molecular formula C101H98BrClF6N40O and a molecular weight of 2117.52 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;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one.

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;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one
• PubChem CID: 158164188
• Molecular Formula: C101H98BrClF6N40O
• Molecular Weight: 2117.52 g/mol
• Exact Mass: 2114.76
• IUPAC Name: 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one
• SMILES: CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(C4CC4)cn23)n1.CC1NCCN(c2ccnc(-c3cnc4cnc(C5CC5)cn34)n2)C1c1cn[nH]c1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5=CCC(Cl)=N5)C4)n3)cnc2cn1.O=C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCN=C2)N1
• InChI: InChI=1S/C22H24N8.C21H23N9.C20H17ClF3N7.C19H19BrN8.C19H15F3N8O/c1-14-21(16-4-6-23-10-16)24-8-9-29(14)19-5-7-25-22(28-19)18-11-27-20-12-26-17(13-30(18)20)15-2-3-15;1-13-20(15-8-26-27-9-15)29(7-6-22-13)18-4-5-23-21(28-18)17-10-25-19-11-24-16(12-30(17)19)14-2-3-14;21-16-4-3-13(28-16)12-2-1-7-30(10-12)17-5-6-25-19(29-17)14-8-27-18-9-26-15(11-31(14)18)20(22,23)24;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;20-19(21,22)14-9-30-13(6-26-16(30)7-25-14)18-24-4-2-15(28-18)29-8-12(27-17(31)10-29)11-1-3-23-5-11/h4-5,7,10-15,21,24H,2-3,6,8-9H2,1H3;4-5,8-14,20,22H,2-3,6-7H2,1H3,(H,26,27);3,5-6,8-9,11-12H,1-2,4,7,10H2;2-3,5,8-12,18,22H,4,6-7H2,1H3;1-2,4-7,9,12H,3,8,10H2,(H,27,31)
• InChIKey: FWQIHHPZAGODEO-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 439.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 17
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2117.52
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	5
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;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one?

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;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one (CID 158164188) is 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one.

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;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one?

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;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one is CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(C4CC4)cn23)n1.CC1NCCN(c2ccnc(-c3cnc4cnc(C5CC5)cn34)n2)C1c1cn[nH]c1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5=CCC(Cl)=N5)C4)n3)cnc2cn1.O=C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCN=C2)N1.

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;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one?

The InChIKey is FWQIHHPZAGODEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8.C21H23N9.C20H17ClF3N7.C19H19BrN8.C19H15F3N8O/c1-14-21(16-4-6-23-10-16)24-8-9-29(14)19-5-7-25-22(28-19)18-11-27-20-12-26-17(13-30(18)20)15-2-3-15;1-13-20(15-8-26-27-9-15)29(7-6-22-13)18-4-5-23-21(28-18)17-10-25-19-11-24-16(12-30(17)19)14-2-3-14;21-16-4-3-13(28-16)12-2-1-7-30(10-12)17-5-6-25-19(29-17)14-8-27-18-9-26-15(11-31(14)18)20(22,23)24;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;20-19(21,22)14-9-30-13(6-26-16(30)7-25-14)18-24-4-2-15(28-18)29-8-12(27-17(31)10-29)11-1-3-23-5-11/h4-5,7,10-15,21,24H,2-3,6,8-9H2,1H3;4-5,8-14,20,22H,2-3,6-7H2,1H3,(H,26,27);3,5-6,8-9,11-12H,1-2,4,7,10H2;2-3,5,8-12,18,22H,4,6-7H2,1H3;1-2,4-7,9,12H,3,8,10H2,(H,27,31).

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;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one?

6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one has a molecular weight of 2117.52 g/mol, XLogP of 12.56, 17 rotatable bonds, 5 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;3-[4-[3-(2-chloro-3H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-cyclopropyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 158164188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).