sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride

C53H53Cl3F4N15NaO8S4 — CID 159276677

About sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride

sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride (PubChem CID 159276677) has the molecular formula C53H53Cl3F4N15NaO8S4 and a molecular weight of 1361.71 g/mol. Its IUPAC name is sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride.

Molecular Properties

• Compound Name: sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride
• PubChem CID: 159276677
• Molecular Formula: C53H53Cl3F4N15NaO8S4
• Molecular Weight: 1361.71 g/mol
• Exact Mass: 1359.20
• IUPAC Name: sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride
• SMILES: Cc1nc(-c2cnn(C)c2C(=O)CO)sc1C.Cc1nc(-c2cnn(C)c2C(=O)[O-])sc1C.Cl.Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)CO.Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)O.NC1CCn2cc(-c3ccccc3)nc2C1.[Na+]
• InChI: InChI=1S/C13H15N3.C11H13N3O2S.C10H8ClF2N3O2S.C10H11N3O2S.C9H6ClF2N3O2S.ClH.Na/c14-11-6-7-16-9-12(15-13(16)8-11)10-4-2-1-3-5-10;1-6-7(2)17-11(13-6)8-4-12-14(3)10(8)9(16)5-15;1-16-7(5(18)3-17)4(2-14-16)10-15-6(9(12)13)8(11)19-10;1-5-6(2)16-9(12-5)7-4-11-13(3)8(7)10(14)15;1-15-5(9(16)17)3(2-13-15)8-14-4(7(11)12)6(10)18-8;;/h1-5,9,11H,6-8,14H2;4,15H,5H2,1-3H3;2,9,17H,3H2,1H3;4H,1-3H3,(H,14,15);2,7H,1H3,(H,16,17);1H;/q;;;;;;+1/p-1
• InChIKey: LEKARVGEUMSNBM-UHFFFAOYSA-M
• XLogP: 6.25
• TPSA: 318.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1361.71
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride?

The IUPAC name of sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride (CID 159276677) is sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride.

What is the SMILES notation for sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride?

The canonical SMILES for sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride is Cc1nc(-c2cnn(C)c2C(=O)CO)sc1C.Cc1nc(-c2cnn(C)c2C(=O)[O-])sc1C.Cl.Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)CO.Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)O.NC1CCn2cc(-c3ccccc3)nc2C1.[Na+].

What is the InChIKey of sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride?

The InChIKey is LEKARVGEUMSNBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15N3.C11H13N3O2S.C10H8ClF2N3O2S.C10H11N3O2S.C9H6ClF2N3O2S.ClH.Na/c14-11-6-7-16-9-12(15-13(16)8-11)10-4-2-1-3-5-10;1-6-7(2)17-11(13-6)8-4-12-14(3)10(8)9(16)5-15;1-16-7(5(18)3-17)4(2-14-16)10-15-6(9(12)13)8(11)19-10;1-5-6(2)16-9(12-5)7-4-11-13(3)8(7)10(14)15;1-15-5(9(16)17)3(2-13-15)8-14-4(7(11)12)6(10)18-8;;/h1-5,9,11H,6-8,14H2;4,15H,5H2,1-3H3;2,9,17H,3H2,1H3;4H,1-3H3,(H,14,15);2,7H,1H3,(H,16,17);1H;/q;;;;;;+1/p-1.

What are the key properties of sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride?

sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride has a molecular weight of 1361.71 g/mol, XLogP of 6.25, 13 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate;1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride is sourced from PubChem (CID 159276677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).