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

C114H121Cl8N37O13 — CID 158230373

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

2-(5-amino-3-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-azidopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-chloropyrazolo[5,4-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-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone (PubChem CID 158230373) has the molecular formula C114H121Cl8N37O13 and a molecular weight of 2501.09 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-azidopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-chloropyrazolo[5,4-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-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-(5-amino-3-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-azidopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-chloropyrazolo[5,4-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-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone
• PubChem CID: 158230373
• Molecular Formula: C114H121Cl8N37O13
• Molecular Weight: 2501.09 g/mol
• Exact Mass: 2495.75
• IUPAC Name: 2-(5-amino-3-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-azidopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-chloropyrazolo[5,4-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-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone
• SMILES: COc1cc(N2CCN(C(=O)Cn3nc(C)c4cc(N)cnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4c(Cl)ncnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4c(OC)ncnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc(Cl)nc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc(N)nc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc(N=[N+]=[N-])nc43)CC2)ccc1Cl
• InChI: InChI=1S/C20H23ClN6O2.C19H19Cl2N5O2.C19H19ClN8O2.C19H21ClN6O3.C19H21ClN6O2.C18H18Cl2N6O2/c1-13-16-9-14(22)11-23-20(16)27(24-13)12-19(28)26-7-5-25(6-8-26)15-3-4-17(21)18(10-15)29-2;1-28-16-10-14(3-4-15(16)20)24-6-8-25(9-7-24)18(27)12-26-19-13(11-22-26)2-5-17(21)23-19;1-30-16-10-14(3-4-15(16)20)26-6-8-27(9-7-26)18(29)12-28-19-13(11-22-28)2-5-17(23-19)24-25-21;1-28-16-9-13(3-4-15(16)20)24-5-7-25(8-6-24)17(27)11-26-18-14(10-23-26)19(29-2)22-12-21-18;1-28-16-10-14(3-4-15(16)20)24-6-8-25(9-7-24)18(27)12-26-19-13(11-22-26)2-5-17(21)23-19;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/h3-4,9-11H,5-8,12,22H2,1-2H3;2-5,10-11H,6-9,12H2,1H3;2-5,10-11H,6-9,12H2,1H3;3-4,9-10,12H,5-8,11H2,1-2H3;2-5,10-11H,6-9,12H2,1H3,(H2,21,23);2-3,8-9,11H,4-7,10H2,1H3
• InChIKey: GEHOQOWRTBKLOY-UHFFFAOYSA-N
• XLogP: 15.17
• TPSA: 516.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 26
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2501.09
LogP ≤ 5	15.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-(5-amino-3-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-azidopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-chloropyrazolo[5,4-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-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone (CID 158230373) is 2-(5-amino-3-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-azidopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-chloropyrazolo[5,4-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-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone.

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

The canonical SMILES for 2-(5-amino-3-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-azidopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-chloropyrazolo[5,4-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-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone is COc1cc(N2CCN(C(=O)Cn3nc(C)c4cc(N)cnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4c(Cl)ncnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4c(OC)ncnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc(Cl)nc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc(N)nc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc(N=[N+]=[N-])nc43)CC2)ccc1Cl.

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

The InChIKey is GEHOQOWRTBKLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2.C19H19Cl2N5O2.C19H19ClN8O2.C19H21ClN6O3.C19H21ClN6O2.C18H18Cl2N6O2/c1-13-16-9-14(22)11-23-20(16)27(24-13)12-19(28)26-7-5-25(6-8-26)15-3-4-17(21)18(10-15)29-2;1-28-16-10-14(3-4-15(16)20)24-6-8-25(9-7-24)18(27)12-26-19-13(11-22-26)2-5-17(21)23-19;1-30-16-10-14(3-4-15(16)20)26-6-8-27(9-7-26)18(29)12-28-19-13(11-22-28)2-5-17(23-19)24-25-21;1-28-16-9-13(3-4-15(16)20)24-5-7-25(8-6-24)17(27)11-26-18-14(10-23-26)19(29-2)22-12-21-18;1-28-16-10-14(3-4-15(16)20)24-6-8-25(9-7-24)18(27)12-26-19-13(11-22-26)2-5-17(21)23-19;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/h3-4,9-11H,5-8,12,22H2,1-2H3;2-5,10-11H,6-9,12H2,1H3;2-5,10-11H,6-9,12H2,1H3;3-4,9-10,12H,5-8,11H2,1-2H3;2-5,10-11H,6-9,12H2,1H3,(H2,21,23);2-3,8-9,11H,4-7,10H2,1H3.

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

2-(5-amino-3-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-azidopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-chloropyrazolo[5,4-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-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone has a molecular weight of 2501.09 g/mol, XLogP of 15.17, 26 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-amino-3-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-azidopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-chloropyrazolo[5,4-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-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone is sourced from PubChem (CID 158230373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).