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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone

C99H107Cl5N32O13 — CID 158287845

About 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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone (PubChem CID 158287845) has the molecular formula C99H107Cl5N32O13 and a molecular weight of 2130.42 g/mol. Its IUPAC name is 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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone.

Molecular Properties

• Compound Name: 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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone
• PubChem CID: 158287845
• Molecular Formula: C99H107Cl5N32O13
• Molecular Weight: 2130.42 g/mol
• Exact Mass: 2126.71
• IUPAC Name: 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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone
• SMILES: C=C(C)Nc1ccc2cnn(CC(=O)N3CCN(c4ccc(Cl)c(OC)c4)CC3)c2n1.COc1cc(N2CCN(C(=O)Cn3nc(C)c4cc([N+](=O)[O-])cnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4c(OC)ncnc43)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/C22H25ClN6O2.C20H21ClN6O4.C19H19ClN8O2.C19H21ClN6O3.C19H21ClN6O2/c1-15(2)25-20-7-4-16-13-24-29(22(16)26-20)14-21(30)28-10-8-27(9-11-28)17-5-6-18(23)19(12-17)31-3;1-13-16-9-15(27(29)30)11-22-20(16)26(23-13)12-19(28)25-7-5-24(6-8-25)14-3-4-17(21)18(10-14)31-2;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/h4-7,12-13H,1,8-11,14H2,2-3H3,(H,25,26);3-4,9-11H,5-8,12H2,1-2H3;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)
• InChIKey: GKZPOJJTTITTTC-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 469.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2130.42
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone?

The IUPAC name of 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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone (CID 158287845) is 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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone.

What is the SMILES notation for 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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone?

The canonical SMILES for 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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone is C=C(C)Nc1ccc2cnn(CC(=O)N3CCN(c4ccc(Cl)c(OC)c4)CC3)c2n1.COc1cc(N2CCN(C(=O)Cn3nc(C)c4cc([N+](=O)[O-])cnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4c(OC)ncnc43)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-(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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone?

The InChIKey is GKZPOJJTTITTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2.C20H21ClN6O4.C19H19ClN8O2.C19H21ClN6O3.C19H21ClN6O2/c1-15(2)25-20-7-4-16-13-24-29(22(16)26-20)14-21(30)28-10-8-27(9-11-28)17-5-6-18(23)19(12-17)31-3;1-13-16-9-15(27(29)30)11-22-20(16)26(23-13)12-19(28)25-7-5-24(6-8-25)14-3-4-17(21)18(10-14)31-2;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/h4-7,12-13H,1,8-11,14H2,2-3H3,(H,25,26);3-4,9-11H,5-8,12H2,1-2H3;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).

What are the key properties of 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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone has a molecular weight of 2130.42 g/mol, XLogP of 13.30, 25 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 158287845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).