1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone

C125H126Cl6F3N31O12S — CID 159330676

About 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone

1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone (PubChem CID 159330676) has the molecular formula C125H126Cl6F3N31O12S and a molecular weight of 2556.37 g/mol. Its IUPAC name is 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
• PubChem CID: 159330676
• Molecular Formula: C125H126Cl6F3N31O12S
• Molecular Weight: 2556.37 g/mol
• Exact Mass: 2551.80
• IUPAC Name: 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
• SMILES: COc1cc(N2CCN(C(=O)Cn3cc4ccccc4n3)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3cc4cccnc4n3)CC2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4nccs4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)c(F)cc1Cl
• InChI: InChI=1S/C24H23ClN6O2.C22H21ClN6O2S.C21H22ClFN4O2.C20H22ClN5O2.2C19H19ClFN5O2/c1-33-21-15-17(7-8-19(21)25)29-11-13-30(14-12-29)22(32)16-31-24-18(5-4-10-27-24)23(28-31)20-6-2-3-9-26-20;1-31-18-13-15(4-5-17(18)23)27-8-10-28(11-9-27)19(30)14-29-21-16(3-2-6-24-21)20(26-29)22-25-7-12-32-22;1-14-11-25(19-10-20(29-2)16(22)9-17(19)23)7-8-27(14)21(28)13-26-12-15-5-3-4-6-18(15)24-26;1-14-16-4-3-7-22-20(16)26(23-14)13-19(27)25-10-8-24(9-11-25)15-5-6-17(21)18(12-15)28-2;1-28-17-10-16(15(21)9-14(17)20)24-5-7-25(8-6-24)18(27)12-26-11-13-3-2-4-22-19(13)23-26;1-28-17-10-16(15(21)9-14(17)20)24-5-7-25(8-6-24)18(27)12-26-19-13(11-23-26)3-2-4-22-19/h2-10,15H,11-14,16H2,1H3;2-7,12-13H,8-11,14H2,1H3;3-6,9-10,12,14H,7-8,11,13H2,1-2H3;3-7,12H,8-11,13H2,1-2H3;2*2-4,9-11H,5-8,12H2,1H3/t;;14-;;;/m..0.../s1
• InChIKey: LEXYPWGMTWELFU-IPBPGIEUSA-N
• XLogP: 18.56
• TPSA: 393.83 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2556.37
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?

The IUPAC name of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone (CID 159330676) is 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone.

What is the SMILES notation for 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?

The canonical SMILES for 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone is COc1cc(N2CCN(C(=O)Cn3cc4ccccc4n3)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3cc4cccnc4n3)CC2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4nccs4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)c(F)cc1Cl.

What is the InChIKey of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?

The InChIKey is LEXYPWGMTWELFU-IPBPGIEUSA-N. The full InChI is InChI=1S/C24H23ClN6O2.C22H21ClN6O2S.C21H22ClFN4O2.C20H22ClN5O2.2C19H19ClFN5O2/c1-33-21-15-17(7-8-19(21)25)29-11-13-30(14-12-29)22(32)16-31-24-18(5-4-10-27-24)23(28-31)20-6-2-3-9-26-20;1-31-18-13-15(4-5-17(18)23)27-8-10-28(11-9-27)19(30)14-29-21-16(3-2-6-24-21)20(26-29)22-25-7-12-32-22;1-14-11-25(19-10-20(29-2)16(22)9-17(19)23)7-8-27(14)21(28)13-26-12-15-5-3-4-6-18(15)24-26;1-14-16-4-3-7-22-20(16)26(23-14)13-19(27)25-10-8-24(9-11-25)15-5-6-17(21)18(12-15)28-2;1-28-17-10-16(15(21)9-14(17)20)24-5-7-25(8-6-24)18(27)12-26-11-13-3-2-4-22-19(13)23-26;1-28-17-10-16(15(21)9-14(17)20)24-5-7-25(8-6-24)18(27)12-26-19-13(11-23-26)3-2-4-22-19/h2-10,15H,11-14,16H2,1H3;2-7,12-13H,8-11,14H2,1H3;3-6,9-10,12,14H,7-8,11,13H2,1-2H3;3-7,12H,8-11,13H2,1-2H3;2*2-4,9-11H,5-8,12H2,1H3/t;;14-;;;/m..0.../s1.

What are the key properties of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?

1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone has a molecular weight of 2556.37 g/mol, XLogP of 18.56, 26 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 159330676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).