lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide

C47H39F6LiN8O10S2 — CID 167700105

About lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide

lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide (PubChem CID 167700105) has the molecular formula C47H39F6LiN8O10S2 and a molecular weight of 1060.94 g/mol. Its IUPAC name is lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide
• PubChem CID: 167700105
• Molecular Formula: C47H39F6LiN8O10S2
• Molecular Weight: 1060.94 g/mol
• Exact Mass: 1060.23
• IUPAC Name: lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide
• SMILES: COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(N3C(=O)CCC3=O)cc2)c(C2CC2)s1.O=C(O)CCC(=O)Nc1ccc(-c2nc(Nc3ncc(C(F)(F)F)cc3C(=O)O)sc2C2CC2)cc1.[Li+].[OH-]
• InChI: InChI=1S/C24H19F3N4O4S.C23H19F3N4O5S.Li.H2O/c1-35-22(34)16-10-14(24(25,26)27)11-28-21(16)30-23-29-19(20(36-23)13-2-3-13)12-4-6-15(7-5-12)31-17(32)8-9-18(31)33;24-23(25,26)13-9-15(21(34)35)20(27-10-13)30-22-29-18(19(36-22)12-1-2-12)11-3-5-14(6-4-11)28-16(31)7-8-17(32)33;;/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,28,29,30);3-6,9-10,12H,1-2,7-8H2,(H,28,31)(H,32,33)(H,34,35)(H,27,29,30);;1H2/q;;+1;/p-1
• InChIKey: YGDBGRDINVYEFZ-UHFFFAOYSA-M
• XLogP: 7.46
• TPSA: 273.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1060.94
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide?

The IUPAC name of lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide (CID 167700105) is lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide.

What is the SMILES notation for lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide?

The canonical SMILES for lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide is COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(N3C(=O)CCC3=O)cc2)c(C2CC2)s1.O=C(O)CCC(=O)Nc1ccc(-c2nc(Nc3ncc(C(F)(F)F)cc3C(=O)O)sc2C2CC2)cc1.[Li+].[OH-].

What is the InChIKey of lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide?

The InChIKey is YGDBGRDINVYEFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19F3N4O4S.C23H19F3N4O5S.Li.H2O/c1-35-22(34)16-10-14(24(25,26)27)11-28-21(16)30-23-29-19(20(36-23)13-2-3-13)12-4-6-15(7-5-12)31-17(32)8-9-18(31)33;24-23(25,26)13-9-15(21(34)35)20(27-10-13)30-22-29-18(19(36-22)12-1-2-12)11-3-5-14(6-4-11)28-16(31)7-8-17(32)33;;/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,28,29,30);3-6,9-10,12H,1-2,7-8H2,(H,28,31)(H,32,33)(H,34,35)(H,27,29,30);;1H2/q;;+1;/p-1.

What are the key properties of lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide?

lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide has a molecular weight of 1060.94 g/mol, XLogP of 7.46, 15 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 167700105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).