tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane

C37H51N3O5Si — CID 174203451

About tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane

tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane (PubChem CID 174203451) has the molecular formula C37H51N3O5Si and a molecular weight of 645.92 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane
• PubChem CID: 174203451
• Molecular Formula: C37H51N3O5Si
• Molecular Weight: 645.92 g/mol
• Exact Mass: 645.36
• IUPAC Name: tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane
• SMILES: CC(COCCOCCc1cncc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)c1)OCc1ccccc1
• InChI: InChI=1S/C37H51N3O5Si/c1-28(44-27-29-12-8-7-9-13-29)26-42-21-20-41-19-17-30-22-31(25-38-24-30)36-33-23-32(45-46(5,6)37(2,3)4)15-16-34(33)40(39-36)35-14-10-11-18-43-35/h7-9,12-13,15-16,22-25,28,35H,10-11,14,17-21,26-27H2,1-6H3
• InChIKey: NLERTAUWWAIKSP-UHFFFAOYSA-N
• XLogP: 8.36
• TPSA: 76.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.92
LogP ≤ 5	8.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane?

The IUPAC name of tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane (CID 174203451) is tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane.

What is the SMILES notation for tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane?

The canonical SMILES for tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane is CC(COCCOCCc1cncc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)c1)OCc1ccccc1.

What is the InChIKey of tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane?

The InChIKey is NLERTAUWWAIKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51N3O5Si/c1-28(44-27-29-12-8-7-9-13-29)26-42-21-20-41-19-17-30-22-31(25-38-24-30)36-33-23-32(45-46(5,6)37(2,3)4)15-16-34(33)40(39-36)35-14-10-11-18-43-35/h7-9,12-13,15-16,22-25,28,35H,10-11,14,17-21,26-27H2,1-6H3.

What are the key properties of tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane?

tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane has a molecular weight of 645.92 g/mol, XLogP of 8.36, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane is sourced from PubChem (CID 174203451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).