bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C104H108F9N39O3S2 — CID 157105082

About bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 157105082) has the molecular formula C104H108F9N39O3S2 and a molecular weight of 2187.39 g/mol. Its IUPAC name is bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
• PubChem CID: 157105082
• Molecular Formula: C104H108F9N39O3S2
• Molecular Weight: 2187.39 g/mol
• Exact Mass: 2185.88
• IUPAC Name: bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
• SMILES: CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnccn23)n1.COC1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CS(C)(=O)=NC1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CS(C)(=O)=NC1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Cc1cn2c(-c3nccc(N4CCNC(C5=CCN=C5)C4C)n3)cnc2cn1
• InChI: InChI=1S/2C22H23F3N8OS.C21H20F3N7O.C20H22N8.C19H20N8/c2*1-35(2,34)31-16-7-15(14-3-5-26-8-14)11-32(12-16)19-4-6-27-21(30-19)17-9-29-20-10-28-18(13-33(17)20)22(23,24)25;1-32-15-6-14(13-2-4-25-7-13)10-30(11-15)18-3-5-26-20(29-18)16-8-28-19-9-27-17(12-31(16)19)21(22,23)24;1-13-12-28-16(10-25-18(28)11-24-13)20-23-6-4-17(26-20)27-8-7-22-19(14(27)2)15-3-5-21-9-15;1-13-18(14-2-4-20-10-14)22-7-9-26(13)16-3-5-23-19(25-16)15-11-24-17-12-21-6-8-27(15)17/h2*3-4,6,8-10,13,15-16H,5,7,11-12H2,1-2H3;2-3,5,7-9,12,14-15H,4,6,10-11H2,1H3;3-4,6,9-12,14,19,22H,5,7-8H2,1-2H3;2-3,5-6,8,10-13,18,22H,4,7,9H2,1H3
• InChIKey: AGEZCILORGHGKQ-UHFFFAOYSA-N
• XLogP: 12.37
• TPSA: 450.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 18
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2187.39
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The IUPAC name of bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 157105082) is bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

What is the SMILES notation for bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The canonical SMILES for bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnccn23)n1.COC1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CS(C)(=O)=NC1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CS(C)(=O)=NC1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Cc1cn2c(-c3nccc(N4CCNC(C5=CCN=C5)C4C)n3)cnc2cn1.

What is the InChIKey of bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The InChIKey is AGEZCILORGHGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23F3N8OS.C21H20F3N7O.C20H22N8.C19H20N8/c2*1-35(2,34)31-16-7-15(14-3-5-26-8-14)11-32(12-16)19-4-6-27-21(30-19)17-9-29-20-10-28-18(13-33(17)20)22(23,24)25;1-32-15-6-14(13-2-4-25-7-13)10-30(11-15)18-3-5-26-20(29-18)16-8-28-19-9-27-17(12-31(16)19)21(22,23)24;1-13-12-28-16(10-25-18(28)11-24-13)20-23-6-4-17(26-20)27-8-7-22-19(14(27)2)15-3-5-21-9-15;1-13-18(14-2-4-20-10-14)22-7-9-26(13)16-3-5-23-19(25-16)15-11-24-17-12-21-6-8-27(15)17/h2*3-4,6,8-10,13,15-16H,5,7,11-12H2,1-2H3;2-3,5,7-9,12,14-15H,4,6,10-11H2,1H3;3-4,6,9-12,14,19,22H,5,7-8H2,1-2H3;2-3,5-6,8,10-13,18,22H,4,7,9H2,1H3.

What are the key properties of bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 2187.39 g/mol, XLogP of 12.37, 18 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane);3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-methyl-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 157105082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).