1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone

C118H120Cl7N32O13S+ — CID 159789466

About 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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 159789466) has the molecular formula C118H120Cl7N32O13S+ and a molecular weight of 2474.71 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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: 159789466
• Molecular Formula: C118H120Cl7N32O13S+
• Molecular Weight: 2474.71 g/mol
• Exact Mass: 2469.72
• IUPAC Name: 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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)Cn3cc4ncccc4n3)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4nccs4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C#N)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc4ncccc4c3Cl)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc[n+](O)c43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ncccc43)CC2)ccc1Cl
• InChI: InChI=1S/C22H21ClN6O2S.C20H19ClN6O2.C19H19Cl2N5O2.C19H21ClN5O3.2C19H20ClN5O2/c1-31-18-13-15(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;1-29-18-11-14(4-5-16(18)21)25-7-9-26(10-8-25)19(28)13-27-20-15(3-2-6-23-20)17(12-22)24-27;1-28-16-11-13(4-5-15(16)20)24-7-9-25(10-8-24)17(27)12-26-18(21)14-3-2-6-22-19(14)23-26;1-28-17-11-15(4-5-16(17)20)22-7-9-23(10-8-22)18(26)13-24-19-14(12-21-24)3-2-6-25(19)27;1-27-18-11-14(4-5-15(18)20)23-7-9-24(10-8-23)19(26)13-25-17-3-2-6-21-16(17)12-22-25;1-27-18-11-14(4-5-15(18)20)23-7-9-24(10-8-23)19(26)13-25-12-17-16(22-25)3-2-6-21-17/h2-7,12-13H,8-11,14H2,1H3;2-6,11H,7-10,13H2,1H3;2-6,11H,7-10,12H2,1H3;2-6,11-12,27H,7-10,13H2,1H3;2*2-6,11-12H,7-10,13H2,1H3/q;;;+1
• InChIKey: QNCUPFLYJMFXPQ-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 428.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2474.71
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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 159789466) is 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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)Cn3cc4ncccc4n3)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4nccs4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C#N)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc4ncccc4c3Cl)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc[n+](O)c43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ncccc43)CC2)ccc1Cl.

What is the InChIKey of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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 QNCUPFLYJMFXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2S.C20H19ClN6O2.C19H19Cl2N5O2.C19H21ClN5O3.2C19H20ClN5O2/c1-31-18-13-15(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;1-29-18-11-14(4-5-16(18)21)25-7-9-26(10-8-25)19(28)13-27-20-15(3-2-6-23-20)17(12-22)24-27;1-28-16-11-13(4-5-15(16)20)24-7-9-25(10-8-24)17(27)12-26-18(21)14-3-2-6-22-19(14)23-26;1-28-17-11-15(4-5-16(17)20)22-7-9-23(10-8-22)18(26)13-24-19-14(12-21-24)3-2-6-25(19)27;1-27-18-11-14(4-5-15(18)20)23-7-9-24(10-8-23)19(26)13-25-17-3-2-6-21-16(17)12-22-25;1-27-18-11-14(4-5-15(18)20)23-7-9-24(10-8-23)19(26)13-25-12-17-16(22-25)3-2-6-21-17/h2-7,12-13H,8-11,14H2,1H3;2-6,11H,7-10,13H2,1H3;2-6,11H,7-10,12H2,1H3;2-6,11-12,27H,7-10,13H2,1H3;2*2-6,11-12H,7-10,13H2,1H3/q;;;+1;;.

What are the key properties of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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 2474.71 g/mol, XLogP of 15.43, 25 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-chloropyrazolo[3,4-b]pyridin-2-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-hydroxypyrazolo[5,4-b]pyridin-7-ium-1-yl)ethanone;1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,5-b]pyridin-1-ylethanone;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 159789466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).