tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C105H109F15N35O3P3S — CID 157217241

About tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 157217241) has the molecular formula C105H109F15N35O3P3S and a molecular weight of 2319.23 g/mol. Its IUPAC name is tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
• PubChem CID: 157217241
• Molecular Formula: C105H109F15N35O3P3S
• Molecular Weight: 2319.23 g/mol
• Exact Mass: 2317.81
• IUPAC Name: tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
• SMILES: CP(C)(=O)C1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CP(C)(=O)C1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CP(C)(=O)C1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CSCC1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Cc1cc(N2CC(C)NC(C3=CCN=C3)C2C)nc(-c2cnc3cnc(C(F)(F)F)cn23)n1
• InChI: InChI=1S/C22H23F3N8.3C22H23F3N7OP.C17H17F3N6S/c1-12-6-18(32-10-13(2)29-20(14(32)3)15-4-5-26-7-15)31-21(30-12)16-8-28-19-9-27-17(11-33(16)19)22(23,24)25;3*1-34(2,33)16-7-15(14-3-5-26-8-14)11-31(12-16)19-4-6-27-21(30-19)17-9-29-20-10-28-18(13-32(17)20)22(23,24)25;1-27-10-11-3-5-25(8-11)14-2-4-21-16(24-14)12-6-23-15-7-22-13(9-26(12)15)17(18,19)20/h4,6-9,11,13-14,20,29H,5,10H2,1-3H3;3*3-4,6,8-10,13,15-16H,5,7,11-12H2,1-2H3;2,4,6-7,9,11H,3,5,8,10H2,1H3
• InChIKey: ASOHMPLMYWESJN-UHFFFAOYSA-N
• XLogP: 18.57
• TPSA: 408.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 39
• Rotatable Bonds: 19
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2319.23
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?

The IUPAC name of tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 157217241) is tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

What is the SMILES notation for tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?

The canonical SMILES for tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CP(C)(=O)C1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CP(C)(=O)C1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CP(C)(=O)C1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CSCC1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Cc1cc(N2CC(C)NC(C3=CCN=C3)C2C)nc(-c2cnc3cnc(C(F)(F)F)cn23)n1.

What is the InChIKey of tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?

The InChIKey is ASOHMPLMYWESJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N8.3C22H23F3N7OP.C17H17F3N6S/c1-12-6-18(32-10-13(2)29-20(14(32)3)15-4-5-26-7-15)31-21(30-12)16-8-28-19-9-27-17(11-33(16)19)22(23,24)25;3*1-34(2,33)16-7-15(14-3-5-26-8-14)11-31(12-16)19-4-6-27-21(30-19)17-9-29-20-10-28-18(13-32(17)20)22(23,24)25;1-27-10-11-3-5-25(8-11)14-2-4-21-16(24-14)12-6-23-15-7-22-13(9-26(12)15)17(18,19)20/h4,6-9,11,13-14,20,29H,5,10H2,1-3H3;3*3-4,6,8-10,13,15-16H,5,7,11-12H2,1-2H3;2,4,6-7,9,11H,3,5,8,10H2,1H3.

What are the key properties of tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?

tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 2319.23 g/mol, XLogP of 18.57, 19 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3-[4-[3-dimethylphosphoryl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 157217241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).