2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane

C66H69BIN9O4Si2 — CID 160759986

About 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane

2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane (PubChem CID 160759986) has the molecular formula C66H69BIN9O4Si2 and a molecular weight of 1246.22 g/mol. Its IUPAC name is 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
• PubChem CID: 160759986
• Molecular Formula: C66H69BIN9O4Si2
• Molecular Weight: 1246.22 g/mol
• Exact Mass: 1245.41
• IUPAC Name: 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
• SMILES: C[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(-c3ccncc3)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(I)ccc21.OB(O)c1ccncc1.c1ccc(-c2n[nH]c3ccc(-c4ccncc4)cc23)cc1
• InChI: InChI=1S/C24H27N3OSi.C19H23IN2OSi.C18H13N3.C5H6BNO2/c1-29(2,3)16-15-28-18-27-23-10-9-21(19-11-13-25-14-12-19)17-22(23)24(26-27)20-7-5-4-6-8-20;1-24(2,3)12-11-23-14-22-18-10-9-16(20)13-17(18)19(21-22)15-7-5-4-6-8-15;1-2-4-14(5-3-1)18-16-12-15(6-7-17(16)20-21-18)13-8-10-19-11-9-13;8-6(9)5-1-3-7-4-2-5/h4-14,17H,15-16,18H2,1-3H3;4-10,13H,11-12,14H2,1-3H3;1-12H,(H,20,21);1-4,8-9H
• InChIKey: RXXXRDXBGWEDOX-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 161.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1246.22
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane?

The IUPAC name of 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane (CID 160759986) is 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane.

What is the SMILES notation for 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane?

The canonical SMILES for 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(-c3ccncc3)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(I)ccc21.OB(O)c1ccncc1.c1ccc(-c2n[nH]c3ccc(-c4ccncc4)cc23)cc1.

What is the InChIKey of 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane?

The InChIKey is RXXXRDXBGWEDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OSi.C19H23IN2OSi.C18H13N3.C5H6BNO2/c1-29(2,3)16-15-28-18-27-23-10-9-21(19-11-13-25-14-12-19)17-22(23)24(26-27)20-7-5-4-6-8-20;1-24(2,3)12-11-23-14-22-18-10-9-16(20)13-17(18)19(21-22)15-7-5-4-6-8-15;1-2-4-14(5-3-1)18-16-12-15(6-7-17(16)20-21-18)13-8-10-19-11-9-13;8-6(9)5-1-3-7-4-2-5/h4-14,17H,15-16,18H2,1-3H3;4-10,13H,11-12,14H2,1-3H3;1-12H,(H,20,21);1-4,8-9H.

What are the key properties of 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane?

2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane has a molecular weight of 1246.22 g/mol, XLogP of 14.75, 16 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane is sourced from PubChem (CID 160759986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).