ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate

C27H42N4O4Si — CID 167524232

About ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate

ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate (PubChem CID 167524232) has the molecular formula C27H42N4O4Si and a molecular weight of 514.74 g/mol. Its IUPAC name is ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate
• PubChem CID: 167524232
• Molecular Formula: C27H42N4O4Si
• Molecular Weight: 514.74 g/mol
• Exact Mass: 514.30
• IUPAC Name: ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate
• SMILES: CCOC(=O)CN1N=C(c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)CC1CC
• InChI: InChI=1S/C27H42N4O4Si/c1-8-19-16-22(28-30(19)18-25(32)33-9-2)26-21-17-20(35-36(6,7)27(3,4)5)13-14-23(21)31(29-26)24-12-10-11-15-34-24/h13-14,17,19,24H,8-12,15-16,18H2,1-7H3
• InChIKey: XMAUSQZTOFNWDX-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 78.18 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.74
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate?

The IUPAC name of ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate (CID 167524232) is ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate.

What is the SMILES notation for ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate?

The canonical SMILES for ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate is CCOC(=O)CN1N=C(c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)CC1CC.

What is the InChIKey of ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate?

The InChIKey is XMAUSQZTOFNWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O4Si/c1-8-19-16-22(28-30(19)18-25(32)33-9-2)26-21-17-20(35-36(6,7)27(3,4)5)13-14-23(21)31(29-26)24-12-10-11-15-34-24/h13-14,17,19,24H,8-12,15-16,18H2,1-7H3.

What are the key properties of ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate?

ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate has a molecular weight of 514.74 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[5-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-3-ethyl-3,4-dihydropyrazol-2-yl]acetate is sourced from PubChem (CID 167524232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).