[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone

C26H25FN4O5 — CID 154679475

About [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone

[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone (PubChem CID 154679475) has the molecular formula C26H25FN4O5 and a molecular weight of 492.51 g/mol. Its IUPAC name is [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone.

Molecular Properties

• Compound Name: [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone
• PubChem CID: 154679475
• Molecular Formula: C26H25FN4O5
• Molecular Weight: 492.51 g/mol
• Exact Mass: 492.18
• IUPAC Name: [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone
• SMILES: COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCCC56CC6O)cc4)no3)c2cc1F
• InChI: InChI=1S/C26H25FN4O5/c1-34-9-10-35-21-13-20-17(11-18(21)27)24(29-28-20)22-12-19(30-36-22)15-3-5-16(6-4-15)25(33)31-8-2-7-26(31)14-23(26)32/h3-6,11-13,23,32H,2,7-10,14H2,1H3,(H,28,29)
• InChIKey: UYHLSLKAPCTKMA-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 113.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.51
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone?

The IUPAC name of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone (CID 154679475) is [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone.

What is the SMILES notation for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone?

The canonical SMILES for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCCC56CC6O)cc4)no3)c2cc1F.

What is the InChIKey of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone?

The InChIKey is UYHLSLKAPCTKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O5/c1-34-9-10-35-21-13-20-17(11-18(21)27)24(29-28-20)22-12-19(30-36-22)15-3-5-16(6-4-15)25(33)31-8-2-7-26(31)14-23(26)32/h3-6,11-13,23,32H,2,7-10,14H2,1H3,(H,28,29).

What are the key properties of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone?

[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone has a molecular weight of 492.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone is sourced from PubChem (CID 154679475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).