lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide

C59H57ClF9LiN12O7S3 — CID 167700226

About lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide

lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide (PubChem CID 167700226) has the molecular formula C59H57ClF9LiN12O7S3 and a molecular weight of 1355.76 g/mol. Its IUPAC name is lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide.

Molecular Properties

• Compound Name: lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide
• PubChem CID: 167700226
• Molecular Formula: C59H57ClF9LiN12O7S3
• Molecular Weight: 1355.76 g/mol
• Exact Mass: 1354.33
• IUPAC Name: lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide
• SMILES: CC(C)c1sc(N)nc1-c1ccc(C(F)(F)F)nc1.COC(=O)c1cc(C)cnc1Cl.COC(=O)c1cc(C)cnc1Nc1nc(-c2ccc(C(F)(F)F)nc2)c(C(C)C)s1.Cc1cnc(Nc2nc(-c3ccc(C(F)(F)F)nc3)c(C(C)C)s2)c(C(=O)O)c1.[Li+].[OH-]
• InChI: InChI=1S/C20H19F3N4O2S.C19H17F3N4O2S.C12H12F3N3S.C8H8ClNO2.Li.H2O/c1-10(2)16-15(12-5-6-14(24-9-12)20(21,22)23)26-19(30-16)27-17-13(18(28)29-4)7-11(3)8-25-17;1-9(2)15-14(11-4-5-13(23-8-11)19(20,21)22)25-18(29-15)26-16-12(17(27)28)6-10(3)7-24-16;1-6(2)10-9(18-11(16)19-10)7-3-4-8(17-5-7)12(13,14)15;1-5-3-6(8(11)12-2)7(9)10-4-5;;/h5-10H,1-4H3,(H,25,26,27);4-9H,1-3H3,(H,27,28)(H,24,25,26);3-6H,1-2H3,(H2,16,18);3-4H,1-2H3;;1H2/q;;;;+1;/p-1
• InChIKey: YGPIJXZJSIUMJV-UHFFFAOYSA-M
• XLogP: 13.66
• TPSA: 285.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1355.76
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide?

The IUPAC name of lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide (CID 167700226) is lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide.

What is the SMILES notation for lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide?

The canonical SMILES for lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide is CC(C)c1sc(N)nc1-c1ccc(C(F)(F)F)nc1.COC(=O)c1cc(C)cnc1Cl.COC(=O)c1cc(C)cnc1Nc1nc(-c2ccc(C(F)(F)F)nc2)c(C(C)C)s1.Cc1cnc(Nc2nc(-c3ccc(C(F)(F)F)nc3)c(C(C)C)s2)c(C(=O)O)c1.[Li+].[OH-].

What is the InChIKey of lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide?

The InChIKey is YGPIJXZJSIUMJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19F3N4O2S.C19H17F3N4O2S.C12H12F3N3S.C8H8ClNO2.Li.H2O/c1-10(2)16-15(12-5-6-14(24-9-12)20(21,22)23)26-19(30-16)27-17-13(18(28)29-4)7-11(3)8-25-17;1-9(2)15-14(11-4-5-13(23-8-11)19(20,21)22)25-18(29-15)26-16-12(17(27)28)6-10(3)7-24-16;1-6(2)10-9(18-11(16)19-10)7-3-4-8(17-5-7)12(13,14)15;1-5-3-6(8(11)12-2)7(9)10-4-5;;/h5-10H,1-4H3,(H,25,26,27);4-9H,1-3H3,(H,27,28)(H,24,25,26);3-6H,1-2H3,(H2,16,18);3-4H,1-2H3;;1H2/q;;;;+1;/p-1.

What are the key properties of lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide?

lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide has a molecular weight of 1355.76 g/mol, XLogP of 13.66, 13 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;methyl 2-chloro-5-methylpyridine-3-carboxylate;methyl 5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;5-methyl-2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine;hydroxide is sourced from PubChem (CID 167700226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).