6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

C101H95B5Br2Cl6F18N18O18S2 — CID 157329816

About 6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (PubChem CID 157329816) has the molecular formula C101H95B5Br2Cl6F18N18O18S2 and a molecular weight of 2681.66 g/mol. Its IUPAC name is 6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

Molecular Properties

• Compound Name: 6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• PubChem CID: 157329816
• Molecular Formula: C101H95B5Br2Cl6F18N18O18S2
• Molecular Weight: 2681.66 g/mol
• Exact Mass: 2676.32
• IUPAC Name: 6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• SMILES: Brc1nccs1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1nc2c(C(F)(F)F)cc(B3OC(C)(C)C(C)(C)O3)cn2c1Cl.COC(=O)c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl.Cl.Fc1cccnc1C1CCNCC1.O=C(O)c1nc2c(C(F)(F)F)cc(B(O)O)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(-c3nccs3)cn2c1Cl)N1CC=C(c2ncccc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(B(O)O)cn2c1Cl)N1CC=C(c2ncccc2F)CC1
• InChI: InChI=1S/C22H14ClF4N5OS.C19H14BClF4N4O3.C16H17BClF3N2O4.C12H24B2O4.C10H5BrClF3N2O2.C10H13FN2.C9H5BClF3N2O4.C3H2BrNS.ClH/c23-18-17(21(33)31-7-3-12(4-8-31)16-15(24)2-1-5-28-16)30-19-14(22(25,26)27)10-13(11-32(18)19)20-29-6-9-34-20;21-16-15(27-17-12(19(23,24)25)8-11(20(31)32)9-29(16)17)18(30)28-6-3-10(4-7-28)14-13(22)2-1-5-26-14;1-14(2)15(3,4)27-17(26-14)8-6-9(16(19,20)21)12-22-10(13(24)25-5)11(18)23(12)7-8;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-19-9(18)6-7(12)17-3-4(11)2-5(8(17)16-6)10(13,14)15;11-9-2-1-5-13-10(9)8-3-6-12-7-4-8;11-6-5(8(17)18)15-7-4(9(12,13)14)1-3(10(19)20)2-16(6)7;4-3-5-1-2-6-3;/h1-3,5-6,9-11H,4,7-8H2;1-3,5,8-9,31-32H,4,6-7H2;6-7H,1-5H3;1-8H3;2-3H,1H3;1-2,5,8,12H,3-4,6-7H2;1-2,19-20H,(H,17,18);1-2H;1H
• InChIKey: BORYMDBREOTJBF-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 429.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 13
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2681.66
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The IUPAC name of 6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (CID 157329816) is 6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

What is the SMILES notation for 6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The canonical SMILES for 6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is Brc1nccs1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1nc2c(C(F)(F)F)cc(B3OC(C)(C)C(C)(C)O3)cn2c1Cl.COC(=O)c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl.Cl.Fc1cccnc1C1CCNCC1.O=C(O)c1nc2c(C(F)(F)F)cc(B(O)O)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(-c3nccs3)cn2c1Cl)N1CC=C(c2ncccc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(B(O)O)cn2c1Cl)N1CC=C(c2ncccc2F)CC1.

What is the InChIKey of 6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The InChIKey is BORYMDBREOTJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF4N5OS.C19H14BClF4N4O3.C16H17BClF3N2O4.C12H24B2O4.C10H5BrClF3N2O2.C10H13FN2.C9H5BClF3N2O4.C3H2BrNS.ClH/c23-18-17(21(33)31-7-3-12(4-8-31)16-15(24)2-1-5-28-16)30-19-14(22(25,26)27)10-13(11-32(18)19)20-29-6-9-34-20;21-16-15(27-17-12(19(23,24)25)8-11(20(31)32)9-29(16)17)18(30)28-6-3-10(4-7-28)14-13(22)2-1-5-26-14;1-14(2)15(3,4)27-17(26-14)8-6-9(16(19,20)21)12-22-10(13(24)25-5)11(18)23(12)7-8;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-19-9(18)6-7(12)17-3-4(11)2-5(8(17)16-6)10(13,14)15;11-9-2-1-5-13-10(9)8-3-6-12-7-4-8;11-6-5(8(17)18)15-7-4(9(12,13)14)1-3(10(19)20)2-16(6)7;4-3-5-1-2-6-3;/h1-3,5-6,9-11H,4,7-8H2;1-3,5,8-9,31-32H,4,6-7H2;6-7H,1-5H3;1-8H3;2-3H,1H3;1-2,5,8,12H,3-4,6-7H2;1-2,19-20H,(H,17,18);1-2H;1H.

What are the key properties of 6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride has a molecular weight of 2681.66 g/mol, XLogP of 21.04, 13 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-borono-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-bromo-1,3-thiazole;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-(1,3-thiazol-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is sourced from PubChem (CID 157329816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).