lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide

C79H85Cl7I4LiN21O12 — CID 157340269

About lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide

lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide (PubChem CID 157340269) has the molecular formula C79H85Cl7I4LiN21O12 and a molecular weight of 2283.41 g/mol. Its IUPAC name is lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide.

Molecular Properties

• Compound Name: lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide
• PubChem CID: 157340269
• Molecular Formula: C79H85Cl7I4LiN21O12
• Molecular Weight: 2283.41 g/mol
• Exact Mass: 2279.08
• IUPAC Name: lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide
• SMILES: C.C.CCOC(=O)Cn1nc(I)c2cc(Cl)cnc21.CCOC(=O)Cn1nc(I)c2cccnc21.COc1cc(N2CCN(C(=O)Cn3nc(I)c4cc(Cl)cnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cc(Cl)cnc43)CC2)ccc1Cl.COc1cc(N2CCNCC2)ccc1Cl.O=C(O)Cn1nc(I)c2cc(Cl)cnc21.[Li+].[OH-]
• InChI: InChI=1S/C19H18Cl2IN5O2.C19H19Cl2N5O2.C11H15ClN2O.C10H9ClIN3O2.C10H10IN3O2.C8H5ClIN3O2.2CH4.Li.H2O/c1-29-16-9-13(2-3-15(16)21)25-4-6-26(7-5-25)17(28)11-27-19-14(18(22)24-27)8-12(20)10-23-19;1-28-17-9-15(2-3-16(17)21)24-4-6-25(7-5-24)18(27)12-26-19-13(10-23-26)8-14(20)11-22-19;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;1-2-17-8(16)5-15-10-7(9(12)14-15)3-6(11)4-13-10;1-2-16-8(15)6-14-10-7(9(11)13-14)4-3-5-12-10;9-4-1-5-7(10)12-13(3-6(14)15)8(5)11-2-4;;;;/h2-3,8-10H,4-7,11H2,1H3;2-3,8-11H,4-7,12H2,1H3;2-3,8,13H,4-7H2,1H3;3-4H,2,5H2,1H3;3-5H,2,6H2,1H3;1-2H,3H2,(H,14,15);2*1H4;;1H2/q;;;;;;;;+1;/p-1
• InChIKey: BGHUILYQJFIWKS-UHFFFAOYSA-M
• XLogP: 12.28
• TPSA: 363.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2283.41
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide?

The IUPAC name of lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide (CID 157340269) is lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide.

What is the SMILES notation for lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide?

The canonical SMILES for lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide is C.C.CCOC(=O)Cn1nc(I)c2cc(Cl)cnc21.CCOC(=O)Cn1nc(I)c2cccnc21.COc1cc(N2CCN(C(=O)Cn3nc(I)c4cc(Cl)cnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cc(Cl)cnc43)CC2)ccc1Cl.COc1cc(N2CCNCC2)ccc1Cl.O=C(O)Cn1nc(I)c2cc(Cl)cnc21.[Li+].[OH-].

What is the InChIKey of lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide?

The InChIKey is BGHUILYQJFIWKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18Cl2IN5O2.C19H19Cl2N5O2.C11H15ClN2O.C10H9ClIN3O2.C10H10IN3O2.C8H5ClIN3O2.2CH4.Li.H2O/c1-29-16-9-13(2-3-15(16)21)25-4-6-26(7-5-25)17(28)11-27-19-14(18(22)24-27)8-12(20)10-23-19;1-28-17-9-15(2-3-16(17)21)24-4-6-25(7-5-24)18(27)12-26-19-13(10-23-26)8-14(20)11-22-19;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;1-2-17-8(16)5-15-10-7(9(12)14-15)3-6(11)4-13-10;1-2-16-8(15)6-14-10-7(9(11)13-14)4-3-5-12-10;9-4-1-5-7(10)12-13(3-6(14)15)8(5)11-2-4;;;;/h2-3,8-10H,4-7,11H2,1H3;2-3,8-11H,4-7,12H2,1H3;2-3,8,13H,4-7H2,1H3;3-4H,2,5H2,1H3;3-5H,2,6H2,1H3;1-2H,3H2,(H,14,15);2*1H4;;1H2/q;;;;;;;;+1;/p-1.

What are the key properties of lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide?

lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide has a molecular weight of 2283.41 g/mol, XLogP of 12.28, 18 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(5-chloropyrazolo[3,4-b]pyridin-1-yl)ethanone;ethyl 2-(5-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;ethyl 2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetate;methane;hydroxide is sourced from PubChem (CID 157340269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).