2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide

C₁₀₆H₁₀₇Cl₅FN₃₃O₁₆S — CID 159570230

About 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide

2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide (PubChem CID 159570230) has the molecular formula C₁₀₆H₁₀₇Cl₅FN₃₃O₁₆S and a molecular weight of 2327.57 g/mol. Its IUPAC name is 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide.

Molecular Properties

• Compound Name: 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide
• PubChem CID: 159570230
• Molecular Formula: C₁₀₆H₁₀₇Cl₅FN₃₃O₁₆S
• Molecular Weight: 2327.57 g/mol
• Exact Mass: 2323.67
• IUPAC Name: 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide
• SMILES: COc1cc(N2CCN(C(=O)Cn3nc(-c4ncon4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4noc(C)n4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(CN=[N+]=[N-])c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc4ncccc4c3-c3ncco3)CC2)ccc1Cl.O=S(=O)=O
• InChI: InChI=1S/C22H21ClFN7O3.C22H22ClN7O3.C22H21ClN6O3.C20H21ClN8O2.C20H22ClN5O2.O3S/c1-13-10-29(17-9-18(33-2)15(23)8-16(17)24)6-7-30(13)19(32)11-31-22-14(4-3-5-25-22)20(27-31)21-26-12-34-28-21;1-14-25-21(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;1-31-18-13-15(4-5-17(18)23)27-8-10-28(11-9-27)19(30)14-29-20(22-25-7-12-32-22)16-3-2-6-24-21(16)26-29;1-31-18-11-14(4-5-16(18)21)27-7-9-28(10-8-27)19(30)13-29-20-15(3-2-6-23-20)17(25-29)12-24-26-22;1-14-16-4-3-7-22-20(16)26(23-14)13-19(27)25-10-8-24(9-11-25)15-5-6-17(21)18(12-15)28-2;1-4(2)3/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3;3-7,12H,8-11,13H2,1-2H3;2-7,12-13H,8-11,14H2,1H3;2-6,11H,7-10,12-13H2,1H3;3-7,12H,8-11,13H2,1-2H3;/t13-;;;;;/m0...../s1
• InChIKey: MHSIDOYWAWFGOO-VFZNITTPSA-N
• XLogP: 13.92
• TPSA: 521.29 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 25
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2327.57
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide?

The IUPAC name of 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide (CID 159570230) is 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide.

What is the SMILES notation for 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide?

The canonical SMILES for 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide is COc1cc(N2CCN(C(=O)Cn3nc(-c4ncon4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4noc(C)n4)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(CN=[N+]=[N-])c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc4ncccc4c3-c3ncco3)CC2)ccc1Cl.O=S(=O)=O.

What is the InChIKey of 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide?

The InChIKey is MHSIDOYWAWFGOO-VFZNITTPSA-N. The full InChI is InChI=1S/C22H21ClFN7O3.C22H22ClN7O3.C22H21ClN6O3.C20H21ClN8O2.C20H22ClN5O2.O3S/c1-13-10-29(17-9-18(33-2)15(23)8-16(17)24)6-7-30(13)19(32)11-31-22-14(4-3-5-25-22)20(27-31)21-26-12-34-28-21;1-14-25-21(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;1-31-18-13-15(4-5-17(18)23)27-8-10-28(11-9-27)19(30)14-29-20(22-25-7-12-32-22)16-3-2-6-24-21(16)26-29;1-31-18-11-14(4-5-16(18)21)27-7-9-28(10-8-27)19(30)13-29-20-15(3-2-6-23-20)17(25-29)12-24-26-22;1-14-16-4-3-7-22-20(16)26(23-14)13-19(27)25-10-8-24(9-11-25)15-5-6-17(21)18(12-15)28-2;1-4(2)3/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3;3-7,12H,8-11,13H2,1-2H3;2-7,12-13H,8-11,14H2,1H3;2-6,11H,7-10,12-13H2,1H3;3-7,12H,8-11,13H2,1-2H3;/t13-;;;;;/m0...../s1.

What are the key properties of 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide?

2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide has a molecular weight of 2327.57 g/mol, XLogP of 13.92, 25 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(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-(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-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[3,4-b]pyridin-2-yl]ethanone;sulfur trioxide is sourced from PubChem (CID 159570230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159570230 — identifiers, structure, computed properties (public domain)

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