lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide

C76H76Cl3I4LiN22O11 — CID 158806891

About lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide

lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide (PubChem CID 158806891) has the molecular formula C76H76Cl3I4LiN22O11 and a molecular weight of 2094.50 g/mol. Its IUPAC name is lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide
• PubChem CID: 158806891
• Molecular Formula: C76H76Cl3I4LiN22O11
• Molecular Weight: 2094.50 g/mol
• Exact Mass: 2092.15
• IUPAC Name: lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide
• SMILES: CCOC(=O)Cn1nc2ncccc2c1I.COc1cc(N2CCN(C(=O)Cn3nc4ncccc4c3-c3ncco3)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc4ncccc4c3I)CC2)ccc1Cl.COc1cc(N2CCNCC2)ccc1Cl.Ic1[nH]nc2ncccc12.O=C(O)Cn1nc2ncccc2c1I.[Li+].[OH-]
• InChI: InChI=1S/C22H21ClN6O3.C19H19ClIN5O2.C11H15ClN2O.C10H10IN3O2.C8H6IN3O2.C6H4IN3.Li.H2O/c1-31-18-13-15(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;1-28-16-11-13(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;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;1-2-16-8(15)6-14-9(11)7-4-3-5-12-10(7)13-14;9-7-5-2-1-3-10-8(5)11-12(7)4-6(13)14;7-5-4-2-1-3-8-6(4)10-9-5;;/h2-7,12-13H,8-11,14H2,1H3;2-6,11H,7-10,12H2,1H3;2-3,8,13H,4-7H2,1H3;3-5H,2,6H2,1H3;1-3H,4H2,(H,13,14);1-3H,(H,8,9,10);;1H2/q;;;;;;+1;/p-1
• InChIKey: IUEMYBXDKSZHBF-UHFFFAOYSA-M
• XLogP: 9.01
• TPSA: 374.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2094.50
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide?

The IUPAC name of lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide (CID 158806891) is lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide.

What is the SMILES notation for lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide?

The canonical SMILES for lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide is CCOC(=O)Cn1nc2ncccc2c1I.COc1cc(N2CCN(C(=O)Cn3nc4ncccc4c3-c3ncco3)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc4ncccc4c3I)CC2)ccc1Cl.COc1cc(N2CCNCC2)ccc1Cl.Ic1[nH]nc2ncccc12.O=C(O)Cn1nc2ncccc2c1I.[Li+].[OH-].

What is the InChIKey of lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide?

The InChIKey is IUEMYBXDKSZHBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H21ClN6O3.C19H19ClIN5O2.C11H15ClN2O.C10H10IN3O2.C8H6IN3O2.C6H4IN3.Li.H2O/c1-31-18-13-15(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;1-28-16-11-13(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;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;1-2-16-8(15)6-14-9(11)7-4-3-5-12-10(7)13-14;9-7-5-2-1-3-10-8(5)11-12(7)4-6(13)14;7-5-4-2-1-3-8-6(4)10-9-5;;/h2-7,12-13H,8-11,14H2,1H3;2-6,11H,7-10,12H2,1H3;2-3,8,13H,4-7H2,1H3;3-5H,2,6H2,1H3;1-3H,4H2,(H,13,14);1-3H,(H,8,9,10);;1H2/q;;;;;;+1;/p-1.

What are the key properties of lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide?

lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide has a molecular weight of 2094.50 g/mol, XLogP of 9.01, 16 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[3,4-b]pyridin-2-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;ethyl 2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetate;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[3,4-b]pyridin-2-yl)acetic acid;hydroxide is sourced from PubChem (CID 158806891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).