sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride

C82H94Br5Cl2F2N20NaO14S3 — CID 158718139

About sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride

sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride (PubChem CID 158718139) has the molecular formula C82H94Br5Cl2F2N20NaO14S3 and a molecular weight of 2211.39 g/mol. Its IUPAC name is sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride.

Molecular Properties

• Compound Name: sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride
• PubChem CID: 158718139
• Molecular Formula: C82H94Br5Cl2F2N20NaO14S3
• Molecular Weight: 2211.39 g/mol
• Exact Mass: 2204.16
• IUPAC Name: sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride
• SMILES: CC(C)(C)OC(=O)CC1CCn2cc(Br)nc2C1.COC(=O)C1CCn2c(nc(Br)c2Br)C1.COC(=O)C1CCn2cc(Br)nc2C1.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)O.NC1CCn2cc(-c3ccccc3)nc2C1.O=C(O)C1CCn2cc(Br)nc2C1.[Na+]
• InChI: InChI=1S/C13H19BrN2O2.C13H15N3.C11H13N3O2S.C10H11N3O2S.C9H10Br2N2O2.C9H11BrN2O2.C9H6ClF2N3O2S.C8H9BrN2O2.ClH.Na/c1-13(2,3)18-12(17)7-9-4-5-16-8-10(14)15-11(16)6-9;14-11-6-7-16-9-12(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;1-5-6(2)16-9(12-5)7-4-11-13(3)8(7)10(14)15;1-15-9(14)5-2-3-13-6(4-5)12-7(10)8(13)11;1-14-9(13)6-2-3-12-5-7(10)11-8(12)4-6;1-15-5(9(16)17)3(2-13-15)8-14-4(7(11)12)6(10)18-8;9-6-4-11-2-1-5(8(12)13)3-7(11)10-6;;/h8-9H,4-7H2,1-3H3;1-5,9,11H,6-8,14H2;4,15H,5H2,1-3H3;4H,1-3H3,(H,14,15);5H,2-4H2,1H3;5-6H,2-4H2,1H3;2,7H,1H3,(H,16,17);4-5H,1-3H2,(H,12,13);1H;/q;;;;;;;;;+1/p-1
• InChIKey: WDUABOKGHTUEEA-UHFFFAOYSA-M
• XLogP: 11.70
• TPSA: 438.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 14
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2211.39
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride?

The IUPAC name of sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride (CID 158718139) is sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride.

What is the SMILES notation for sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride?

The canonical SMILES for sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride is CC(C)(C)OC(=O)CC1CCn2cc(Br)nc2C1.COC(=O)C1CCn2c(nc(Br)c2Br)C1.COC(=O)C1CCn2cc(Br)nc2C1.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)O.NC1CCn2cc(-c3ccccc3)nc2C1.O=C(O)C1CCn2cc(Br)nc2C1.[Na+].

What is the InChIKey of sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride?

The InChIKey is WDUABOKGHTUEEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H19BrN2O2.C13H15N3.C11H13N3O2S.C10H11N3O2S.C9H10Br2N2O2.C9H11BrN2O2.C9H6ClF2N3O2S.C8H9BrN2O2.ClH.Na/c1-13(2,3)18-12(17)7-9-4-5-16-8-10(14)15-11(16)6-9;14-11-6-7-16-9-12(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;1-5-6(2)16-9(12-5)7-4-11-13(3)8(7)10(14)15;1-15-9(14)5-2-3-13-6(4-5)12-7(10)8(13)11;1-14-9(13)6-2-3-12-5-7(10)11-8(12)4-6;1-15-5(9(16)17)3(2-13-15)8-14-4(7(11)12)6(10)18-8;9-6-4-11-2-1-5(8(12)13)3-7(11)10-6;;/h8-9H,4-7H2,1-3H3;1-5,9,11H,6-8,14H2;4,15H,5H2,1-3H3;4H,1-3H3,(H,14,15);5H,2-4H2,1H3;5-6H,2-4H2,1H3;2,7H,1H3,(H,16,17);4-5H,1-3H2,(H,12,13);1H;/q;;;;;;;;;+1/p-1.

What are the key properties of sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride?

sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride has a molecular weight of 2211.39 g/mol, XLogP of 11.70, 14 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;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;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;hydrochloride is sourced from PubChem (CID 158718139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).