3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol

C86H86F12N30O3 — CID 160659956

About 3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol

3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 160659956) has the molecular formula C86H86F12N30O3 and a molecular weight of 1815.82 g/mol. Its IUPAC name is 3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
• PubChem CID: 160659956
• Molecular Formula: C86H86F12N30O3
• Molecular Weight: 1815.82 g/mol
• Exact Mass: 1814.73
• IUPAC Name: 3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
• SMILES: CC1C(C2=CCN=C2)N(CCO)C(C)CN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)O1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)O1
• InChI: InChI=1S/C23H25F3N8O.C21H21F3N8.2C21H20F3N7O/c1-14-12-33(15(2)21(32(14)7-8-35)16-3-5-27-9-16)19-4-6-28-22(31-19)17-10-30-20-11-29-18(13-34(17)20)23(24,25)26;1-12-10-31(13(2)19(29-12)14-3-5-25-7-14)17-4-6-26-20(30-17)15-8-28-18-9-27-16(11-32(15)18)21(22,23)24;2*1-12-10-30(13(2)19(32-12)14-3-5-25-7-14)17-4-6-26-20(29-17)15-8-28-18-9-27-16(11-31(15)18)21(22,23)24/h3-4,6,9-11,13-15,21,35H,5,7-8,12H2,1-2H3;3-4,6-9,11-13,19,29H,5,10H2,1-2H3;2*3-4,6-9,11-13,19H,5,10H2,1-2H3
• InChIKey: RLNSEALZQDDLMC-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 340.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1815.82
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol?

The IUPAC name of 3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 160659956) is 3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol.

What is the SMILES notation for 3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol?

The canonical SMILES for 3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol is CC1C(C2=CCN=C2)N(CCO)C(C)CN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)O1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)O1.

What is the InChIKey of 3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol?

The InChIKey is RLNSEALZQDDLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N8O.C21H21F3N8.2C21H20F3N7O/c1-14-12-33(15(2)21(32(14)7-8-35)16-3-5-27-9-16)19-4-6-28-22(31-19)17-10-30-20-11-29-18(13-34(17)20)23(24,25)26;1-12-10-31(13(2)19(29-12)14-3-5-25-7-14)17-4-6-26-20(30-17)15-8-28-18-9-27-16(11-32(15)18)21(22,23)24;2*1-12-10-30(13(2)19(32-12)14-3-5-25-7-14)17-4-6-26-20(29-17)15-8-28-18-9-27-16(11-31(15)18)21(22,23)24/h3-4,6,9-11,13-15,21,35H,5,7-8,12H2,1-2H3;3-4,6-9,11-13,19,29H,5,10H2,1-2H3;2*3-4,6-9,11-13,19H,5,10H2,1-2H3.

What are the key properties of 3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol?

3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 1815.82 g/mol, XLogP of 11.64, 14 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-[3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 160659956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).