sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride

C73H77ClF3N16NaO10S3 — CID 157092533

About sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride

sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride (PubChem CID 157092533) has the molecular formula C73H77ClF3N16NaO10S3 and a molecular weight of 1550.16 g/mol. Its IUPAC name is sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride
• PubChem CID: 157092533
• Molecular Formula: C73H77ClF3N16NaO10S3
• Molecular Weight: 1550.16 g/mol
• Exact Mass: 1548.47
• IUPAC Name: sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride
• SMILES: CC(C)(C)OC(=O)CC1CCn2c(nc(-c3ccccc3)c2F)C1.Cc1csc(-c2cnn(C)c2C(=O)[O-])n1.Cl.Cn1ncc(-c2cscn2)c1C(=O)CO.Cn1ncc(-c2nccs2)c1C(=O)CO.NC1CCn2c(nc(-c3ccccc3)c2F)C1.O=C(O)C1CCn2c(nc(-c3ccccc3)c2F)C1.[Na+]
• InChI: InChI=1S/C19H23FN2O2.C14H13FN2O2.C13H14FN3.3C9H9N3O2S.ClH.Na/c1-19(2,3)24-16(23)12-13-9-10-22-15(11-13)21-17(18(22)20)14-7-5-4-6-8-14;15-13-12(9-4-2-1-3-5-9)16-11-8-10(14(18)19)6-7-17(11)13;14-13-12(9-4-2-1-3-5-9)16-11-8-10(15)6-7-17(11)13;1-12-9(8(14)3-13)6(2-11-12)7-4-15-5-10-7;1-5-4-15-8(11-5)6-3-10-12(2)7(6)9(13)14;1-12-8(7(14)5-13)6(4-11-12)9-10-2-3-15-9;;/h4-8,13H,9-12H2,1-3H3;1-5,10H,6-8H2,(H,18,19);1-5,10H,6-8,15H2;2,4-5,13H,3H2,1H3;3-4H,1-2H3,(H,13,14);2-4,13H,5H2,1H3;1H;/q;;;;;;;+1/p-1
• InChIKey: QWIVBQGGGVHVAM-UHFFFAOYSA-M
• XLogP: 7.36
• TPSA: 349.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1550.16
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride?

The IUPAC name of sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride (CID 157092533) is sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride.

What is the SMILES notation for sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride?

The canonical SMILES for sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride is CC(C)(C)OC(=O)CC1CCn2c(nc(-c3ccccc3)c2F)C1.Cc1csc(-c2cnn(C)c2C(=O)[O-])n1.Cl.Cn1ncc(-c2cscn2)c1C(=O)CO.Cn1ncc(-c2nccs2)c1C(=O)CO.NC1CCn2c(nc(-c3ccccc3)c2F)C1.O=C(O)C1CCn2c(nc(-c3ccccc3)c2F)C1.[Na+].

What is the InChIKey of sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride?

The InChIKey is QWIVBQGGGVHVAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23FN2O2.C14H13FN2O2.C13H14FN3.3C9H9N3O2S.ClH.Na/c1-19(2,3)24-16(23)12-13-9-10-22-15(11-13)21-17(18(22)20)14-7-5-4-6-8-14;15-13-12(9-4-2-1-3-5-9)16-11-8-10(14(18)19)6-7-17(11)13;14-13-12(9-4-2-1-3-5-9)16-11-8-10(15)6-7-17(11)13;1-12-9(8(14)3-13)6(2-11-12)7-4-15-5-10-7;1-5-4-15-8(11-5)6-3-10-12(2)7(6)9(13)14;1-12-8(7(14)5-13)6(4-11-12)9-10-2-3-15-9;;/h4-8,13H,9-12H2,1-3H3;1-5,10H,6-8H2,(H,18,19);1-5,10H,6-8,15H2;2,4-5,13H,3H2,1H3;3-4H,1-2H3,(H,13,14);2-4,13H,5H2,1H3;1H;/q;;;;;;;+1/p-1.

What are the key properties of sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride?

sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride has a molecular weight of 1550.16 g/mol, XLogP of 7.36, 14 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 157092533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).