(2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol

C27H43N5O4Si — CID 165127885

About (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol

(2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol (PubChem CID 165127885) has the molecular formula C27H43N5O4Si and a molecular weight of 529.76 g/mol. Its IUPAC name is (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol.

Molecular Properties

• Compound Name: (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol
• PubChem CID: 165127885
• Molecular Formula: C27H43N5O4Si
• Molecular Weight: 529.76 g/mol
• Exact Mass: 529.31
• IUPAC Name: (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol
• SMILES: C[C@@H](O)CCOCCCn1ncc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)n1
• InChI: InChI=1S/C27H43N5O4Si/c1-20(33)13-17-34-15-9-14-31-28-19-23(29-31)26-22-18-21(36-37(5,6)27(2,3)4)11-12-24(22)32(30-26)25-10-7-8-16-35-25/h11-12,18-20,25,33H,7-10,13-17H2,1-6H3/t20-,25?/m1/s1
• InChIKey: UOEGHTOPWYSUNN-VGOKPJQXSA-N
• XLogP: 5.56
• TPSA: 96.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.76
LogP ≤ 5	5.56
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 (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol?

The IUPAC name of (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol (CID 165127885) is (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol.

What is the SMILES notation for (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol?

The canonical SMILES for (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol is C[C@@H](O)CCOCCCn1ncc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)n1.

What is the InChIKey of (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol?

The InChIKey is UOEGHTOPWYSUNN-VGOKPJQXSA-N. The full InChI is InChI=1S/C27H43N5O4Si/c1-20(33)13-17-34-15-9-14-31-28-19-23(29-31)26-22-18-21(36-37(5,6)27(2,3)4)11-12-24(22)32(30-26)25-10-7-8-16-35-25/h11-12,18-20,25,33H,7-10,13-17H2,1-6H3/t20-,25?/m1/s1.

What are the key properties of (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol?

(2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol has a molecular weight of 529.76 g/mol, XLogP of 5.56, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol is sourced from PubChem (CID 165127885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).