lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide

C84H88BrCl6LiN12O7S3Sn — CID 167632642

About lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide

lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide (PubChem CID 167632642) has the molecular formula C84H88BrCl6LiN12O7S3Sn and a molecular weight of 1892.18 g/mol. Its IUPAC name is lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide
• PubChem CID: 167632642
• Molecular Formula: C84H88BrCl6LiN12O7S3Sn
• Molecular Weight: 1892.18 g/mol
• Exact Mass: 1888.26
• IUPAC Name: lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide
• SMILES: CC(C)c1sc(Nc2ncc(-c3ccccn3)cc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.CCCCC[Sn](CCCC)(CCCC)c1ccccn1.COC(=O)c1cc(-c2ccccn2)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(C(C)C)s1.COC(=O)c1cc(Br)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(C(C)C)s1.[Li+].[OH-]
• InChI: InChI=1S/C24H20Cl2N4O2S.C23H18Cl2N4O2S.C19H16BrCl2N3O2S.C5H4N.C5H11.2C4H9.Li.H2O.Sn/c1-13(2)21-20(14-7-8-17(25)18(26)11-14)29-24(33-21)30-22-16(23(31)32-3)10-15(12-28-22)19-6-4-5-9-27-19;1-12(2)20-19(13-6-7-16(24)17(25)10-13)28-23(32-20)29-21-15(22(30)31)9-14(11-27-21)18-5-3-4-8-26-18;1-9(2)16-15(10-4-5-13(21)14(22)6-10)24-19(28-16)25-17-12(18(26)27-3)7-11(20)8-23-17;1-2-4-6-5-3-1;1-3-5-4-2;2*1-3-4-2;;;/h4-13H,1-3H3,(H,28,29,30);3-12H,1-2H3,(H,30,31)(H,27,28,29);4-9H,1-3H3,(H,23,24,25);1-4H;1,3-5H2,2H3;2*1,3-4H2,2H3;;1H2;/q;;;;;;;+1;;/p-1
• InChIKey: OAFNKQSOHAZCSG-UHFFFAOYSA-M
• XLogP: 23.65
• TPSA: 272.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1892.18
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide?

The IUPAC name of lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide (CID 167632642) is lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide.

What is the SMILES notation for lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide?

The canonical SMILES for lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide is CC(C)c1sc(Nc2ncc(-c3ccccn3)cc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.CCCCC[Sn](CCCC)(CCCC)c1ccccn1.COC(=O)c1cc(-c2ccccn2)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(C(C)C)s1.COC(=O)c1cc(Br)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(C(C)C)s1.[Li+].[OH-].

What is the InChIKey of lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide?

The InChIKey is OAFNKQSOHAZCSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20Cl2N4O2S.C23H18Cl2N4O2S.C19H16BrCl2N3O2S.C5H4N.C5H11.2C4H9.Li.H2O.Sn/c1-13(2)21-20(14-7-8-17(25)18(26)11-14)29-24(33-21)30-22-16(23(31)32-3)10-15(12-28-22)19-6-4-5-9-27-19;1-12(2)20-19(13-6-7-16(24)17(25)10-13)28-23(32-20)29-21-15(22(30)31)9-14(11-27-21)18-5-3-4-8-26-18;1-9(2)16-15(10-4-5-13(21)14(22)6-10)24-19(28-16)25-17-12(18(26)27-3)7-11(20)8-23-17;1-2-4-6-5-3-1;1-3-5-4-2;2*1-3-4-2;;;/h4-13H,1-3H3,(H,28,29,30);3-12H,1-2H3,(H,30,31)(H,27,28,29);4-9H,1-3H3,(H,23,24,25);1-4H;1,3-5H2,2H3;2*1,3-4H2,2H3;;1H2;/q;;;;;;;+1;;/p-1.

What are the key properties of lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide?

lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide has a molecular weight of 1892.18 g/mol, XLogP of 23.65, 28 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;dibutyl-pentyl-pyridin-2-ylstannane;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 167632642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).