sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate

C70H82BFN17NaO12S2 — CID 160752358

About sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate

sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate (PubChem CID 160752358) has the molecular formula C70H82BFN17NaO12S2 and a molecular weight of 1470.47 g/mol. Its IUPAC name is sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate.

Molecular Properties

• Compound Name: sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate
• PubChem CID: 160752358
• Molecular Formula: C70H82BFN17NaO12S2
• Molecular Weight: 1470.47 g/mol
• Exact Mass: 1469.57
• IUPAC Name: sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate
• SMILES: Cc1cccnc1-c1cnn(C)c1C(=O)CO.Cc1cccnc1-c1cnn(C)c1C(=O)O.Cc1csc(-c2cnn(C)c2C(=O)[O-])n1.Cn1ncc(-c2nc(C(C)(C)C)cs2)c1C(=O)CO.Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)CO.NC1CCn2cc(-c3ccc(F)cc3)nc2C1.[Na+]
• InChI: InChI=1S/C13H14FN3.C13H17N3O2S.C12H19BN2O4.C12H13N3O2.C11H11N3O2.C9H9N3O2S.Na/c14-10-3-1-9(2-4-10)12-8-17-6-5-11(15)7-13(17)16-12;1-13(2,3)10-7-19-12(15-10)8-5-14-16(4)11(8)9(18)6-17;1-11(2)12(3,4)19-13(18-11)8-6-14-15(5)10(8)9(17)7-16;1-8-4-3-5-13-11(8)9-6-14-15(2)12(9)10(17)7-16;1-7-4-3-5-12-9(7)8-6-13-14(2)10(8)11(15)16;1-5-4-15-8(11-5)6-3-10-12(2)7(6)9(13)14;/h1-4,8,11H,5-7,15H2;5,7,17H,6H2,1-4H3;6,16H,7H2,1-5H3;3-6,16H,7H2,1-2H3;3-6H,1-2H3,(H,15,16);3-4H,1-2H3,(H,13,14);/q;;;;;;+1/p-1
• InChIKey: RWZMAQCEVNGYRL-UHFFFAOYSA-M
• XLogP: 3.55
• TPSA: 392.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1470.47
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate?

The IUPAC name of sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate (CID 160752358) is sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate.

What is the SMILES notation for sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate?

The canonical SMILES for sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate is Cc1cccnc1-c1cnn(C)c1C(=O)CO.Cc1cccnc1-c1cnn(C)c1C(=O)O.Cc1csc(-c2cnn(C)c2C(=O)[O-])n1.Cn1ncc(-c2nc(C(C)(C)C)cs2)c1C(=O)CO.Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)CO.NC1CCn2cc(-c3ccc(F)cc3)nc2C1.[Na+].

What is the InChIKey of sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate?

The InChIKey is RWZMAQCEVNGYRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14FN3.C13H17N3O2S.C12H19BN2O4.C12H13N3O2.C11H11N3O2.C9H9N3O2S.Na/c14-10-3-1-9(2-4-10)12-8-17-6-5-11(15)7-13(17)16-12;1-13(2,3)10-7-19-12(15-10)8-5-14-16(4)11(8)9(18)6-17;1-11(2)12(3,4)19-13(18-11)8-6-14-15(5)10(8)9(17)7-16;1-8-4-3-5-13-11(8)9-6-14-15(2)12(9)10(17)7-16;1-7-4-3-5-12-9(7)8-6-13-14(2)10(8)11(15)16;1-5-4-15-8(11-5)6-3-10-12(2)7(6)9(13)14;/h1-4,8,11H,5-7,15H2;5,7,17H,6H2,1-4H3;6,16H,7H2,1-5H3;3-6,16H,7H2,1-2H3;3-6H,1-2H3,(H,15,16);3-4H,1-2H3,(H,13,14);/q;;;;;;+1/p-1.

What are the key properties of sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate?

sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate has a molecular weight of 1470.47 g/mol, XLogP of 3.55, 14 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate is sourced from PubChem (CID 160752358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).