5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol

C₂₀H₁₅ClFN₃O₂ — CID 163234159

About 5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol

5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol (PubChem CID 163234159) has the molecular formula C₂₀H₁₅ClFN₃O₂ and a molecular weight of 383.81 g/mol. Its IUPAC name is 5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol.

Molecular Properties

• Compound Name: 5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol
• PubChem CID: 163234159
• Molecular Formula: C₂₀H₁₅ClFN₃O₂
• Molecular Weight: 383.81 g/mol
• Exact Mass: 383.08
• IUPAC Name: 5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol
• SMILES: COc1ccc(Nc2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1Cl
• InChI: InChI=1S/C20H15ClFN3O2/c1-27-20-7-3-14(9-16(20)21)24-13-2-6-18-12(8-13)11-23-25(18)15-4-5-17(22)19(26)10-15/h2-11,24,26H,1H3
• InChIKey: FTBXYLDGPNCRAQ-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 59.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.81
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol?

The IUPAC name of 5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol (CID 163234159) is 5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol.

What is the SMILES notation for 5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol?

The canonical SMILES for 5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol is COc1ccc(Nc2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1Cl.

What is the InChIKey of 5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol?

The InChIKey is FTBXYLDGPNCRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c1-27-20-7-3-14(9-16(20)21)24-13-2-6-18-12(8-13)11-23-25(18)15-4-5-17(22)19(26)10-15/h2-11,24,26H,1H3.

What are the key properties of 5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol?

5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol has a molecular weight of 383.81 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol is sourced from PubChem (CID 163234159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163234159 — identifiers, structure, computed properties (public domain)

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