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

C28H44N4O4Si — CID 165126955

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

(2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]butan-2-ol (PubChem CID 165126955) has the molecular formula C28H44N4O4Si and a molecular weight of 528.77 g/mol. Its IUPAC name is (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-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]pyrazol-1-yl]propoxy]butan-2-ol
• PubChem CID: 165126955
• Molecular Formula: C28H44N4O4Si
• Molecular Weight: 528.77 g/mol
• Exact Mass: 528.31
• IUPAC Name: (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]butan-2-ol
• SMILES: C[C@@H](O)CCOCCCn1cc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)cn1
• InChI: InChI=1S/C28H44N4O4Si/c1-21(33)13-17-34-15-9-14-31-20-22(19-29-31)27-24-18-23(36-37(5,6)28(2,3)4)11-12-25(24)32(30-27)26-10-7-8-16-35-26/h11-12,18-21,26,33H,7-10,13-17H2,1-6H3/t21-,26?/m1/s1
• InChIKey: GWUDYXZCDVQCMO-OSMGYRLQSA-N
• XLogP: 6.16
• TPSA: 83.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.77
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
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 (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-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]pyrazol-1-yl]propoxy]butan-2-ol (CID 165126955) is (2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-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]pyrazol-1-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]pyrazol-1-yl]propoxy]butan-2-ol is C[C@@H](O)CCOCCCn1cc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)cn1.

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

The InChIKey is GWUDYXZCDVQCMO-OSMGYRLQSA-N. The full InChI is InChI=1S/C28H44N4O4Si/c1-21(33)13-17-34-15-9-14-31-20-22(19-29-31)27-24-18-23(36-37(5,6)28(2,3)4)11-12-25(24)32(30-27)26-10-7-8-16-35-26/h11-12,18-21,26,33H,7-10,13-17H2,1-6H3/t21-,26?/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]pyrazol-1-yl]propoxy]butan-2-ol?

(2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]butan-2-ol has a molecular weight of 528.77 g/mol, XLogP of 6.16, 11 rotatable bonds, 1 hydrogen bond donors, and 8 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]pyrazol-1-yl]propoxy]butan-2-ol is sourced from PubChem (CID 165126955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).