4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone

C112H108F3N39O5 — CID 158987950

About 4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone

4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 158987950) has the molecular formula C112H108F3N39O5 and a molecular weight of 2137.36 g/mol. Its IUPAC name is 4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
• PubChem CID: 158987950
• Molecular Formula: C112H108F3N39O5
• Molecular Weight: 2137.36 g/mol
• Exact Mass: 2135.93
• IUPAC Name: 4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(-c5ccc(C(N)=O)cc5)cn34)n2)CC1.CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(-c5ccc(CO)cc5)cn34)n2)CC1.CC1CC(C2=CCN=C2)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CC1CN(c2ccnc(-c3cnc4cnc(C#N)cn34)n2)C(C)C(C2=CCN=C2)N1.[C-]#[N+]c1ccccc1-c1cn2c(-c3nccc(N4CCN(C(C)=O)CC4)n3)cnc2cn1
• InChI: InChI=1S/C23H22N8O2.C23H20N8O.C23H23N7O2.C22H22F3N7.C21H21N9/c1-15(32)29-8-10-30(11-9-29)20-6-7-25-23(28-20)19-12-27-21-13-26-18(14-31(19)21)16-2-4-17(5-3-16)22(24)33;1-16(32)29-9-11-30(12-10-29)21-7-8-25-23(28-21)20-13-27-22-14-26-19(15-31(20)22)17-5-3-4-6-18(17)24-2;1-16(32)28-8-10-29(11-9-28)21-6-7-24-23(27-21)20-12-26-22-13-25-19(14-30(20)22)18-4-2-17(15-31)3-5-18;1-13-7-16(15-3-5-26-8-15)14(2)31(11-13)19-4-6-27-21(30-19)17-9-29-20-10-28-18(12-32(17)20)22(23,24)25;1-13-11-29(14(2)20(27-13)15-3-5-23-8-15)18-4-6-24-21(28-18)17-9-26-19-10-25-16(7-22)12-30(17)19/h2-7,12-14H,8-11H2,1H3,(H2,24,33);3-8,13-15H,9-12H2,1H3;2-7,12-14,31H,8-11,15H2,1H3;3-4,6,8-10,12-14,16H,5,7,11H2,1-2H3;3-4,6,8-10,12-14,20,27H,5,11H2,1-2H3
• InChIKey: JPUNXQTVWINQHO-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 485.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 17
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2137.36
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?

The IUPAC name of 4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 158987950) is 4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(-c5ccc(C(N)=O)cc5)cn34)n2)CC1.CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(-c5ccc(CO)cc5)cn34)n2)CC1.CC1CC(C2=CCN=C2)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CC1CN(c2ccnc(-c3cnc4cnc(C#N)cn34)n2)C(C)C(C2=CCN=C2)N1.[C-]#[N+]c1ccccc1-c1cn2c(-c3nccc(N4CCN(C(C)=O)CC4)n3)cnc2cn1.

What is the InChIKey of 4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?

The InChIKey is JPUNXQTVWINQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2.C23H20N8O.C23H23N7O2.C22H22F3N7.C21H21N9/c1-15(32)29-8-10-30(11-9-29)20-6-7-25-23(28-20)19-12-27-21-13-26-18(14-31(19)21)16-2-4-17(5-3-16)22(24)33;1-16(32)29-9-11-30(12-10-29)21-7-8-25-23(28-21)20-13-27-22-14-26-19(15-31(20)22)17-5-3-4-6-18(17)24-2;1-16(32)28-8-10-29(11-9-28)21-6-7-24-23(27-21)20-12-26-22-13-25-19(14-30(20)22)18-4-2-17(15-31)3-5-18;1-13-7-16(15-3-5-26-8-15)14(2)31(11-13)19-4-6-27-21(30-19)17-9-29-20-10-28-18(12-32(17)20)22(23,24)25;1-13-11-29(14(2)20(27-13)15-3-5-23-8-15)18-4-6-24-21(28-18)17-9-26-19-10-25-16(7-22)12-30(17)19/h2-7,12-14H,8-11H2,1H3,(H2,24,33);3-8,13-15H,9-12H2,1H3;2-7,12-14,31H,8-11,15H2,1H3;3-4,6,8-10,12-14,16H,5,7,11H2,1-2H3;3-4,6,8-10,12-14,20,27H,5,11H2,1-2H3.

What are the key properties of 4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?

4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 2137.36 g/mol, XLogP of 12.40, 17 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 158987950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).