lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide

C77H73BBrCl6LiN12O12S3 — CID 167675359

About lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide

lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide (PubChem CID 167675359) has the molecular formula C77H73BBrCl6LiN12O12S3 and a molecular weight of 1765.08 g/mol. Its IUPAC name is lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide
• PubChem CID: 167675359
• Molecular Formula: C77H73BBrCl6LiN12O12S3
• Molecular Weight: 1765.08 g/mol
• Exact Mass: 1760.22
• IUPAC Name: lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide
• SMILES: CC(C)CCc1sc(Nc2ncc(-c3ccc[nH]c3=O)cc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.COC(=O)c1cc(-c2ccc[nH]c2=O)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CCC(C)C)s1.COC(=O)c1cc(Br)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CCC(C)C)s1.O=c1[nH]cccc1B(O)O.[Li+].[OH-]
• InChI: InChI=1S/C26H24Cl2N4O3S.C25H22Cl2N4O3S.C21H20BrCl2N3O2S.C5H6BNO3.Li.H2O/c1-14(2)6-9-21-22(15-7-8-19(27)20(28)12-15)31-26(36-21)32-23-18(25(34)35-3)11-16(13-30-23)17-5-4-10-29-24(17)33;1-13(2)5-8-20-21(14-6-7-18(26)19(27)11-14)30-25(35-20)31-22-17(24(33)34)10-15(12-29-22)16-4-3-9-28-23(16)32;1-11(2)4-7-17-18(12-5-6-15(23)16(24)8-12)26-21(30-17)27-19-14(20(28)29-3)9-13(22)10-25-19;8-5-4(6(9)10)2-1-3-7-5;;/h4-5,7-8,10-14H,6,9H2,1-3H3,(H,29,33)(H,30,31,32);3-4,6-7,9-13H,5,8H2,1-2H3,(H,28,32)(H,33,34)(H,29,30,31);5-6,8-11H,4,7H2,1-3H3,(H,25,26,27);1-3,9-10H,(H,7,8);;1H2/q;;;;+1;/p-1
• InChIKey: USPGAHJAKJODKJ-UHFFFAOYSA-M
• XLogP: 16.16
• TPSA: 372.37 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1765.08
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide?

The IUPAC name of lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide (CID 167675359) is lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide.

What is the SMILES notation for lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide?

The canonical SMILES for lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide is CC(C)CCc1sc(Nc2ncc(-c3ccc[nH]c3=O)cc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.COC(=O)c1cc(-c2ccc[nH]c2=O)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CCC(C)C)s1.COC(=O)c1cc(Br)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CCC(C)C)s1.O=c1[nH]cccc1B(O)O.[Li+].[OH-].

What is the InChIKey of lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide?

The InChIKey is USPGAHJAKJODKJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24Cl2N4O3S.C25H22Cl2N4O3S.C21H20BrCl2N3O2S.C5H6BNO3.Li.H2O/c1-14(2)6-9-21-22(15-7-8-19(27)20(28)12-15)31-26(36-21)32-23-18(25(34)35-3)11-16(13-30-23)17-5-4-10-29-24(17)33;1-13(2)5-8-20-21(14-6-7-18(26)19(27)11-14)30-25(35-20)31-22-17(24(33)34)10-15(12-29-22)16-4-3-9-28-23(16)32;1-11(2)4-7-17-18(12-5-6-15(23)16(24)8-12)26-21(30-17)27-19-14(20(28)29-3)9-13(22)10-25-19;8-5-4(6(9)10)2-1-3-7-5;;/h4-5,7-8,10-14H,6,9H2,1-3H3,(H,29,33)(H,30,31,32);3-4,6-7,9-13H,5,8H2,1-2H3,(H,28,32)(H,33,34)(H,29,30,31);5-6,8-11H,4,7H2,1-3H3,(H,25,26,27);1-3,9-10H,(H,7,8);;1H2/q;;;;+1;/p-1.

What are the key properties of lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide?

lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide has a molecular weight of 1765.08 g/mol, XLogP of 16.16, 24 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(3-methylbutyl)-1,3-thiazol-2-yl]amino]-5-(2-oxo-1H-pyridin-3-yl)pyridine-3-carboxylate;(2-oxo-1H-pyridin-3-yl)boronic acid;hydroxide is sourced from PubChem (CID 167675359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).