2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol

C28H44N4O5Si — CID 174203689

About 2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol

2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol (PubChem CID 174203689) has the molecular formula C28H44N4O5Si and a molecular weight of 544.77 g/mol. Its IUPAC name is 2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol
• PubChem CID: 174203689
• Molecular Formula: C28H44N4O5Si
• Molecular Weight: 544.77 g/mol
• Exact Mass: 544.31
• IUPAC Name: 2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol
• SMILES: CC(COCCOCCO)n1cc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)cn1
• InChI: InChI=1S/C28H44N4O5Si/c1-21(20-35-16-15-34-14-12-33)31-19-22(18-29-31)27-24-17-23(37-38(5,6)28(2,3)4)10-11-25(24)32(30-27)26-9-7-8-13-36-26/h10-11,17-19,21,26,33H,7-9,12-16,20H2,1-6H3
• InChIKey: YWXLRSFCASBMGR-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 92.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.77
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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 2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol (CID 174203689) is 2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol is CC(COCCOCCO)n1cc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)cn1.

What is the InChIKey of 2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol?

The InChIKey is YWXLRSFCASBMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N4O5Si/c1-21(20-35-16-15-34-14-12-33)31-19-22(18-29-31)27-24-17-23(37-38(5,6)28(2,3)4)10-11-25(24)32(30-27)26-9-7-8-13-36-26/h10-11,17-19,21,26,33H,7-9,12-16,20H2,1-6H3.

What are the key properties of 2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol?

2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol has a molecular weight of 544.77 g/mol, XLogP of 5.57, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]ethoxy]ethanol is sourced from PubChem (CID 174203689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).