1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone

C96H100Cl7IN26O12S — CID 159692264

About 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone

1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone (PubChem CID 159692264) has the molecular formula C96H100Cl7IN26O12S and a molecular weight of 2217.17 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone
• PubChem CID: 159692264
• Molecular Formula: C96H100Cl7IN26O12S
• Molecular Weight: 2217.17 g/mol
• Exact Mass: 2212.46
• IUPAC Name: 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone
• SMILES: COc1cc(N2CCN(C(=O)Cn3ncc4c(Cl)ncnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4c(I)ccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4c(S(C)(=O)=O)ccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cc(Cl)cnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc(C)nc43)CC2)ccc1Cl
• InChI: InChI=1S/C20H22ClN5O4S.C20H22ClN5O2.C19H19Cl2N5O2.C19H19ClIN5O2.C18H18Cl2N6O2/c1-30-17-11-14(3-4-16(17)21)24-7-9-25(10-8-24)19(27)13-26-20-15(12-23-26)18(5-6-22-20)31(2,28)29;1-14-3-4-15-12-22-26(20(15)23-14)13-19(27)25-9-7-24(8-10-25)16-5-6-17(21)18(11-16)28-2;1-28-17-9-15(2-3-16(17)21)24-4-6-25(7-5-24)18(27)12-26-19-13(10-23-26)8-14(20)11-22-19;1-28-17-10-13(2-3-15(17)20)24-6-8-25(9-7-24)18(27)12-26-19-14(11-23-26)16(21)4-5-22-19;1-28-15-8-12(2-3-14(15)19)24-4-6-25(7-5-24)16(27)10-26-18-13(9-23-26)17(20)21-11-22-18/h3-6,11-12H,7-10,13H2,1-2H3;3-6,11-12H,7-10,13H2,1-2H3;2-3,8-11H,4-7,12H2,1H3;2-5,10-11H,6-9,12H2,1H3;2-3,8-9,11H,4-7,10H2,1H3
• InChIKey: MWOIGOMTOVXHII-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 364.48 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2217.17
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone?

The IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone (CID 159692264) is 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone.

What is the SMILES notation for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone?

The canonical SMILES for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone is COc1cc(N2CCN(C(=O)Cn3ncc4c(Cl)ncnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4c(I)ccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4c(S(C)(=O)=O)ccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cc(Cl)cnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc(C)nc43)CC2)ccc1Cl.

What is the InChIKey of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone?

The InChIKey is MWOIGOMTOVXHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O4S.C20H22ClN5O2.C19H19Cl2N5O2.C19H19ClIN5O2.C18H18Cl2N6O2/c1-30-17-11-14(3-4-16(17)21)24-7-9-25(10-8-24)19(27)13-26-20-15(12-23-26)18(5-6-22-20)31(2,28)29;1-14-3-4-15-12-22-26(20(15)23-14)13-19(27)25-9-7-24(8-10-25)16-5-6-17(21)18(11-16)28-2;1-28-17-9-15(2-3-16(17)21)24-4-6-25(7-5-24)18(27)12-26-19-13(10-23-26)8-14(20)11-22-19;1-28-17-10-13(2-3-15(17)20)24-6-8-25(9-7-24)18(27)12-26-19-14(11-23-26)16(21)4-5-22-19;1-28-15-8-12(2-3-14(15)19)24-4-6-25(7-5-24)16(27)10-26-18-13(9-23-26)17(20)21-11-22-18/h3-6,11-12H,7-10,13H2,1-2H3;3-6,11-12H,7-10,13H2,1-2H3;2-3,8-11H,4-7,12H2,1H3;2-5,10-11H,6-9,12H2,1H3;2-3,8-9,11H,4-7,10H2,1H3.

What are the key properties of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone?

1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone has a molecular weight of 2217.17 g/mol, XLogP of 13.23, 21 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[3,4-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 159692264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).