tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane

C37H51N3O5Si — CID 174203597

About tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane

tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane (PubChem CID 174203597) 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-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane
• PubChem CID: 174203597
• Molecular Formula: C37H51N3O5Si
• Molecular Weight: 645.92 g/mol
• Exact Mass: 645.36
• IUPAC Name: tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane
• SMILES: CC(CCOCC(C)Oc1cncc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)c1)OCc1ccccc1
• InChI: InChI=1S/C37H51N3O5Si/c1-27(43-26-29-13-9-8-10-14-29)18-20-41-25-28(2)44-32-21-30(23-38-24-32)36-33-22-31(45-46(6,7)37(3,4)5)16-17-34(33)40(39-36)35-15-11-12-19-42-35/h8-10,13-14,16-17,21-24,27-28,35H,11-12,15,18-20,25-26H2,1-7H3
• InChIKey: WLCYEKGHMDZTIM-UHFFFAOYSA-N
• XLogP: 8.96
• TPSA: 76.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.92
LogP ≤ 5	8.96
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-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane?

The IUPAC name of tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane (CID 174203597) is tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane.

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

The canonical SMILES for tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane is CC(CCOCC(C)Oc1cncc(-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-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane?

The InChIKey is WLCYEKGHMDZTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51N3O5Si/c1-27(43-26-29-13-9-8-10-14-29)18-20-41-25-28(2)44-32-21-30(23-38-24-32)36-33-22-31(45-46(6,7)37(3,4)5)16-17-34(33)40(39-36)35-15-11-12-19-42-35/h8-10,13-14,16-17,21-24,27-28,35H,11-12,15,18-20,25-26H2,1-7H3.

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

tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane has a molecular weight of 645.92 g/mol, XLogP of 8.96, 14 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-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane is sourced from PubChem (CID 174203597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).