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

C112H107Cl5F3N31O13S2 — CID 160597960

About 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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 160597960) has the molecular formula C112H107Cl5F3N31O13S2 and a molecular weight of 2393.68 g/mol. Its IUPAC name is 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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: 160597960
• Molecular Formula: C112H107Cl5F3N31O13S2
• Molecular Weight: 2393.68 g/mol
• Exact Mass: 2389.65
• IUPAC Name: 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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)Cn3nc(-c4ncco4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ncco4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4nccs4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4nccs4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ncon4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl
• InChI: InChI=1S/C23H22ClFN6O3.C23H22ClFN6O2S.C22H21ClFN7O3.C22H21ClN6O3.C22H21ClN6O2S/c2*1-14-12-29(18-11-19(33-2)16(24)10-17(18)25)7-8-30(14)20(32)13-31-22-15(4-3-5-26-22)21(28-31)23-27-6-9-34-23;1-13-10-29(17-9-18(33-2)15(23)8-16(17)24)6-7-30(13)19(32)11-31-22-14(4-3-5-25-22)20(27-31)21-26-12-34-28-21;2*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/h2*3-6,9-11,14H,7-8,12-13H2,1-2H3;3-5,8-9,12-13H,6-7,10-11H2,1-2H3;2*2-7,12-13H,8-11,14H2,1H3/t2*14-;13-;;/m000../s1
• InChIKey: RDWTURWBJDRUPT-KOKISSTOSA-N
• XLogP: 17.40
• TPSA: 434.21 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 25
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2393.68
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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 160597960) is 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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)Cn3nc(-c4ncco4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ncco4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4nccs4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4nccs4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ncon4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.

What is the InChIKey of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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 RDWTURWBJDRUPT-KOKISSTOSA-N. The full InChI is InChI=1S/C23H22ClFN6O3.C23H22ClFN6O2S.C22H21ClFN7O3.C22H21ClN6O3.C22H21ClN6O2S/c2*1-14-12-29(18-11-19(33-2)16(24)10-17(18)25)7-8-30(14)20(32)13-31-22-15(4-3-5-26-22)21(28-31)23-27-6-9-34-23;1-13-10-29(17-9-18(33-2)15(23)8-16(17)24)6-7-30(13)19(32)11-31-22-14(4-3-5-25-22)20(27-31)21-26-12-34-28-21;2*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/h2*3-6,9-11,14H,7-8,12-13H2,1-2H3;3-5,8-9,12-13H,6-7,10-11H2,1-2H3;2*2-7,12-13H,8-11,14H2,1H3/t2*14-;13-;;/m000../s1.

What are the key properties of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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 2393.68 g/mol, XLogP of 17.40, 25 rotatable bonds, 0 hydrogen bond donors, and 41 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-[3-(1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[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 160597960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).