4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C106H93F6N17O6S — CID 158243946

About 4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 158243946) has the molecular formula C106H93F6N17O6S and a molecular weight of 1847.08 g/mol. Its IUPAC name is 4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

• Compound Name: 4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
• PubChem CID: 158243946
• Molecular Formula: C106H93F6N17O6S
• Molecular Weight: 1847.08 g/mol
• Exact Mass: 1845.71
• IUPAC Name: 4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
• SMILES: COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cc4)cc3-c3ccc(F)cc3)CC2=O)c1.Cc1cc(-c2cc(-c3ccccc3)n(CC(=O)N3CC=C(c4ncccn4)CC3)n2)ccc1F.Cc1cc(-c2cc(-c3ccccc3)n(CC(=O)N3CCC(c4ccccn4)CC3)n2)ccc1F.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccc(F)cc3)cc1-c1ccc(F)cc1)C2
• InChI: InChI=1S/C28H24F2N4O3.C28H27FN4O.C27H24FN5O.C23H18F2N4OS/c1-37-24-4-2-3-23(15-24)33-14-13-32(17-28(33)36)27(35)18-34-26(20-7-11-22(30)12-8-20)16-25(31-34)19-5-9-21(29)10-6-19;1-20-17-23(10-11-24(20)29)26-18-27(22-7-3-2-4-8-22)33(31-26)19-28(34)32-15-12-21(13-16-32)25-9-5-6-14-30-25;1-19-16-22(8-9-23(19)28)24-17-25(20-6-3-2-4-7-20)33(31-24)18-26(34)32-14-10-21(11-15-32)27-29-12-5-13-30-27;1-14-26-20-11-28(12-22(20)31-14)23(30)13-29-21(16-4-8-18(25)9-5-16)10-19(27-29)15-2-6-17(24)7-3-15/h2-12,15-16H,13-14,17-18H2,1H3;2-11,14,17-18,21H,12-13,15-16,19H2,1H3;2-10,12-13,16-17H,11,14-15,18H2,1H3;2-10H,11-13H2,1H3
• InChIKey: GFWVYWJULOGEMT-UHFFFAOYSA-N
• XLogP: 19.42
• TPSA: 233.62 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1847.08
LogP ≤ 5	19.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?

The IUPAC name of 4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 158243946) is 4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

What is the SMILES notation for 4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?

The canonical SMILES for 4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cc4)cc3-c3ccc(F)cc3)CC2=O)c1.Cc1cc(-c2cc(-c3ccccc3)n(CC(=O)N3CC=C(c4ncccn4)CC3)n2)ccc1F.Cc1cc(-c2cc(-c3ccccc3)n(CC(=O)N3CCC(c4ccccn4)CC3)n2)ccc1F.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccc(F)cc3)cc1-c1ccc(F)cc1)C2.

What is the InChIKey of 4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?

The InChIKey is GFWVYWJULOGEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N4O3.C28H27FN4O.C27H24FN5O.C23H18F2N4OS/c1-37-24-4-2-3-23(15-24)33-14-13-32(17-28(33)36)27(35)18-34-26(20-7-11-22(30)12-8-20)16-25(31-34)19-5-9-21(29)10-6-19;1-20-17-23(10-11-24(20)29)26-18-27(22-7-3-2-4-8-22)33(31-26)19-28(34)32-15-12-21(13-16-32)25-9-5-6-14-30-25;1-19-16-22(8-9-23(19)28)24-17-25(20-6-3-2-4-7-20)33(31-24)18-26(34)32-14-10-21(11-15-32)27-29-12-5-13-30-27;1-14-26-20-11-28(12-22(20)31-14)23(30)13-29-21(16-4-8-18(25)9-5-16)10-19(27-29)15-2-6-17(24)7-3-15/h2-12,15-16H,13-14,17-18H2,1H3;2-11,14,17-18,21H,12-13,15-16,19H2,1H3;2-10,12-13,16-17H,11,14-15,18H2,1H3;2-10H,11-13H2,1H3.

What are the key properties of 4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?

4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 1847.08 g/mol, XLogP of 19.42, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 158243946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).