2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide

C91H120BBr4IN22O7S4Si3Sn — CID 159789538

About 2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide

2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide (PubChem CID 159789538) has the molecular formula C91H120BBr4IN22O7S4Si3Sn and a molecular weight of 2422.68 g/mol. Its IUPAC name is 2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide.

Molecular Properties

• Compound Name: 2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide
• PubChem CID: 159789538
• Molecular Formula: C91H120BBr4IN22O7S4Si3Sn
• Molecular Weight: 2422.68 g/mol
• Exact Mass: 2418.28
• IUPAC Name: 2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide
• SMILES: CC#C[Sn](CCCC)(CCCC)CCCC.CC#Cc1nc(Br)c(-c2ncn(COCC[Si](C)(C)C)n2)s1.C[Si](C)(C)CCOCn1cnc(-c2sc(Br)nc2Br)n1.Cc1nn2ccccc2c1-c1nc(-c2ccc(CO)cc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(Br)c(-c2ncn(COCC[Si](C)(C)C)n2)s1.N[n+]1ccccc1.OCc1ccc(B(O)O)cc1.[I-]
• InChI: InChI=1S/C20H16N6OS.C19H23BrN6OSSi.C14H19BrN4OSSi.C11H16Br2N4OSSi.C7H9BO3.C5H7N2.3C4H9.C3H3.HI.Sn/c1-12-16(15-4-2-3-9-26(15)25-12)20-23-17(14-7-5-13(10-27)6-8-14)18(28-20)19-21-11-22-24-19;1-13-15(14-7-5-6-8-26(14)23-13)19-22-17(20)16(28-19)18-21-11-25(24-18)12-27-9-10-29(2,3)4;1-5-6-11-17-13(15)12(21-11)14-16-9-19(18-14)10-20-7-8-22(2,3)4;1-20(2,3)5-4-18-7-17-6-14-10(16-17)8-9(12)15-11(13)19-8;9-5-6-1-3-7(4-2-6)8(10)11;6-7-4-2-1-3-5-7;3*1-3-4-2;1-3-2;;/h2-9,11,27H,10H2,1H3,(H,21,22,24);5-8,11H,9-10,12H2,1-4H3;9H,7-8,10H2,1-4H3;6H,4-5,7H2,1-3H3;1-4,9-11H,5H2;1-5H,6H2;3*1,3-4H2,2H3;1H3;1H;/q;;;;;+1;;;;;;/p-1
• InChIKey: AQHBLXAWWCZQCW-UHFFFAOYSA-M
• XLogP: 17.85
• TPSA: 358.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2422.68
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide?

The IUPAC name of 2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide (CID 159789538) is 2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide.

What is the SMILES notation for 2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide?

The canonical SMILES for 2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide is CC#C[Sn](CCCC)(CCCC)CCCC.CC#Cc1nc(Br)c(-c2ncn(COCC[Si](C)(C)C)n2)s1.C[Si](C)(C)CCOCn1cnc(-c2sc(Br)nc2Br)n1.Cc1nn2ccccc2c1-c1nc(-c2ccc(CO)cc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(Br)c(-c2ncn(COCC[Si](C)(C)C)n2)s1.N[n+]1ccccc1.OCc1ccc(B(O)O)cc1.[I-].

What is the InChIKey of 2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide?

The InChIKey is AQHBLXAWWCZQCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16N6OS.C19H23BrN6OSSi.C14H19BrN4OSSi.C11H16Br2N4OSSi.C7H9BO3.C5H7N2.3C4H9.C3H3.HI.Sn/c1-12-16(15-4-2-3-9-26(15)25-12)20-23-17(14-7-5-13(10-27)6-8-14)18(28-20)19-21-11-22-24-19;1-13-15(14-7-5-6-8-26(14)23-13)19-22-17(20)16(28-19)18-21-11-25(24-18)12-27-9-10-29(2,3)4;1-5-6-11-17-13(15)12(21-11)14-16-9-19(18-14)10-20-7-8-22(2,3)4;1-20(2,3)5-4-18-7-17-6-14-10(16-17)8-9(12)15-11(13)19-8;9-5-6-1-3-7(4-2-6)8(10)11;6-7-4-2-1-3-5-7;3*1-3-4-2;1-3-2;;/h2-9,11,27H,10H2,1H3,(H,21,22,24);5-8,11H,9-10,12H2,1-4H3;9H,7-8,10H2,1-4H3;6H,4-5,7H2,1-3H3;1-4,9-11H,5H2;1-5H,6H2;3*1,3-4H2,2H3;1H3;1H;/q;;;;;+1;;;;;;/p-1.

What are the key properties of 2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide?

2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide has a molecular weight of 2422.68 g/mol, XLogP of 17.85, 34 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[4-bromo-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-bromo-2-prop-1-ynyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2,4-dibromo-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;[4-(hydroxymethyl)phenyl]boronic acid;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;pyridin-1-ium-1-amine;tributyl(prop-1-ynyl)stannane;iodide is sourced from PubChem (CID 159789538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).