(2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol

C28H42N4O5Si — CID 175549503

About (2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol

(2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol (PubChem CID 175549503) has the molecular formula C28H42N4O5Si and a molecular weight of 542.75 g/mol. Its IUPAC name is (2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol
• PubChem CID: 175549503
• Molecular Formula: C28H42N4O5Si
• Molecular Weight: 542.75 g/mol
• Exact Mass: 542.29
• IUPAC Name: (2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol
• SMILES: C[C@H](OCCOC[C@@H](C)O)c1cncc(-c2nn(C3NCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)c1
• InChI: InChI=1S/C28H42N4O5Si/c1-19(33)18-34-12-13-35-20(2)21-14-22(17-29-16-21)26-24-15-23(37-38(6,7)28(3,4)5)8-9-25(24)32(31-26)27-30-10-11-36-27/h8-9,14-17,19-20,27,30,33H,10-13,18H2,1-7H3/t19-,20+,27?/m1/s1
• InChIKey: ISNHPQKYHFOXFP-NYOMEMIMSA-N
• XLogP: 5.03
• TPSA: 99.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.75
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
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)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol?

The IUPAC name of (2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol (CID 175549503) is (2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol.

What is the SMILES notation for (2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol?

The canonical SMILES for (2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol is C[C@H](OCCOC[C@@H](C)O)c1cncc(-c2nn(C3NCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)c1.

What is the InChIKey of (2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol?

The InChIKey is ISNHPQKYHFOXFP-NYOMEMIMSA-N. The full InChI is InChI=1S/C28H42N4O5Si/c1-19(33)18-34-12-13-35-20(2)21-14-22(17-29-16-21)26-24-15-23(37-38(6,7)28(3,4)5)8-9-25(24)32(31-26)27-30-10-11-36-27/h8-9,14-17,19-20,27,30,33H,10-13,18H2,1-7H3/t19-,20+,27?/m1/s1.

What are the key properties of (2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol?

(2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol has a molecular weight of 542.75 g/mol, XLogP of 5.03, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[2-[(1S)-1-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-3-pyridinyl]ethoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 175549503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).