6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C81H82ClF11N30O2S — CID 157341138

About 6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 157341138) has the molecular formula C81H82ClF11N30O2S and a molecular weight of 1784.25 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 157341138
• Molecular Formula: C81H82ClF11N30O2S
• Molecular Weight: 1784.25 g/mol
• Exact Mass: 1782.65
• IUPAC Name: 6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• SMILES: CC1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C(C)C(c2cnc[nH]2)N1.CC1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1.C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)[C@H](C)[C@H](c2cn[nH]c2)N1.C[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)F)cn34)n2)C[C@@H](CNS(C)(=O)=O)C1(F)F
• InChI: InChI=1S/C21H21F3N8.C20H20ClFN8.C20H22F4N6O2S.C20H19F3N8/c1-12-10-31(13(2)19(29-12)14-7-27-28-8-14)18-5-6-25-20(30-18)16-9-26-17-4-3-15(11-32(16)17)21(22,23)24;1-11-8-29(12(2)19(27-11)15-6-23-10-26-15)17-3-4-24-20(28-17)16-7-25-18-5-14(22)13(21)9-30(16)18;1-12-9-29(11-14(20(12,23)24)7-27-33(2,31)32)19-25-6-5-15(28-19)16-8-26-17-4-3-13(18(21)22)10-30(16)17;1-12-9-30(11-15(28-12)13-6-26-27-7-13)18-4-5-24-19(29-18)16-8-25-17-3-2-14(10-31(16)17)20(21,22)23/h3-9,11-13,19,29H,10H2,1-2H3,(H,27,28);3-7,9-12,19,27H,8H2,1-2H3,(H,23,26);3-6,8,10,12,14,18,27H,7,9,11H2,1-2H3;2-8,10,12,15,28H,9,11H2,1H3,(H,26,27)/t12-,13-,19-;;12-,14+;/m1.0./s1
• InChIKey: BGKIEMBJFWHRQS-IJDCXGIESA-N
• XLogP: 12.75
• TPSA: 353.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1784.25
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The IUPAC name of 6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 157341138) is 6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

What is the SMILES notation for 6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The canonical SMILES for 6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C(C)C(c2cnc[nH]2)N1.CC1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1.C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)[C@H](C)[C@H](c2cn[nH]c2)N1.C[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)F)cn34)n2)C[C@@H](CNS(C)(=O)=O)C1(F)F.

What is the InChIKey of 6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The InChIKey is BGKIEMBJFWHRQS-IJDCXGIESA-N. The full InChI is InChI=1S/C21H21F3N8.C20H20ClFN8.C20H22F4N6O2S.C20H19F3N8/c1-12-10-31(13(2)19(29-12)14-7-27-28-8-14)18-5-6-25-20(30-18)16-9-26-17-4-3-15(11-32(16)17)21(22,23)24;1-11-8-29(12(2)19(27-11)15-6-23-10-26-15)17-3-4-24-20(28-17)16-7-25-18-5-14(22)13(21)9-30(16)18;1-12-9-29(11-14(20(12,23)24)7-27-33(2,31)32)19-25-6-5-15(28-19)16-8-26-17-4-3-13(18(21)22)10-30(16)17;1-12-9-30(11-15(28-12)13-6-26-27-7-13)18-4-5-24-19(29-18)16-8-25-17-3-2-14(10-31(16)17)20(21,22)23/h3-9,11-13,19,29H,10H2,1-2H3,(H,27,28);3-7,9-12,19,27H,8H2,1-2H3,(H,23,26);3-6,8,10,12,14,18,27H,7,9,11H2,1-2H3;2-8,10,12,15,28H,9,11H2,1H3,(H,26,27)/t12-,13-,19-;;12-,14+;/m1.0./s1.

What are the key properties of 6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 1784.25 g/mol, XLogP of 12.75, 15 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 157341138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).