2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide

C₁₀₂H₁₀₉Cl₅IN₂₉O₁₄S — CID 158218120

About 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide

2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide (PubChem CID 158218120) has the molecular formula C₁₀₂H₁₀₉Cl₅IN₂₉O₁₄S and a molecular weight of 2301.42 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide
• PubChem CID: 158218120
• Molecular Formula: C₁₀₂H₁₀₉Cl₅IN₂₉O₁₄S
• Molecular Weight: 2301.42 g/mol
• Exact Mass: 2297.59
• IUPAC Name: 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide
• SMILES: COc1cc(N2CCN(C(=O)Cn3nc(-c4noc(C)n4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(CN)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(I)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(S(C)(=O)=O)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc(NC(C)=O)nc43)CC2)ccc1Cl
• InChI: InChI=1S/C22H22ClN7O3.C21H23ClN6O3.C20H23ClN6O2.C20H22ClN5O4S.C19H19ClIN5O2/c1-14-25-21(27-33-14)20-16-4-3-7-24-22(16)30(26-20)13-19(31)29-10-8-28(9-11-29)15-5-6-17(23)18(12-15)32-2;1-14(29)24-19-6-3-15-12-23-28(21(15)25-19)13-20(30)27-9-7-26(8-10-27)16-4-5-17(22)18(11-16)31-2;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;1-30-17-12-14(5-6-16(17)21)24-8-10-25(11-9-24)18(27)13-26-19-15(4-3-7-22-19)20(23-26)31(2,28)29;1-28-16-11-13(4-5-15(16)20)24-7-9-25(10-8-24)17(27)12-26-19-14(18(21)23-26)3-2-6-22-19/h3-7,12H,8-11,13H2,1-2H3;3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,29);2-6,11H,7-10,12-13,22H2,1H3;3-7,12H,8-11,13H2,1-2H3;2-6,11H,7-10,12H2,1H3
• InChIKey: GCXJVTRBQJYNIT-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 445.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2301.42
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide?

The IUPAC name of 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide (CID 158218120) is 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide.

What is the SMILES notation for 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide?

The canonical SMILES for 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide is COc1cc(N2CCN(C(=O)Cn3nc(-c4noc(C)n4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(CN)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(I)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(S(C)(=O)=O)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc(NC(C)=O)nc43)CC2)ccc1Cl.

What is the InChIKey of 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide?

The InChIKey is GCXJVTRBQJYNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O3.C21H23ClN6O3.C20H23ClN6O2.C20H22ClN5O4S.C19H19ClIN5O2/c1-14-25-21(27-33-14)20-16-4-3-7-24-22(16)30(26-20)13-19(31)29-10-8-28(9-11-29)15-5-6-17(23)18(12-15)32-2;1-14(29)24-19-6-3-15-12-23-28(21(15)25-19)13-20(30)27-9-7-26(8-10-27)16-4-5-17(22)18(11-16)31-2;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;1-30-17-12-14(5-6-16(17)21)24-8-10-25(11-9-24)18(27)13-26-19-15(4-3-7-22-19)20(23-26)31(2,28)29;1-28-16-11-13(4-5-15(16)20)24-7-9-25(10-8-24)17(27)12-26-19-14(18(21)23-26)3-2-6-22-19/h3-7,12H,8-11,13H2,1-2H3;3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,29);2-6,11H,7-10,12-13,22H2,1H3;3-7,12H,8-11,13H2,1-2H3;2-6,11H,7-10,12H2,1H3.

What are the key properties of 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide?

2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide has a molecular weight of 2301.42 g/mol, XLogP of 11.99, 24 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylsulfonylpyrazolo[5,4-b]pyridin-1-yl)ethanone;N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-yl]acetamide is sourced from PubChem (CID 158218120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158218120 — identifiers, structure, computed properties (public domain)

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