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

C20H15ClFN3O2 — CID 163234159

IUPAC5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol
SMILESCOc1ccc(Nc2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1Cl
InChIInChI=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
InChIKeyFTBXYLDGPNCRAQ-UHFFFAOYSA-N
MW383.81 g/mol
LogP5.28
Rot. Bonds4

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 Name5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol
PubChem CID163234159
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name5-[5-(3-chloro-4-methoxyanilino)indazol-1-yl]-2-fluorophenol
SMILESCOc1ccc(Nc2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1Cl
InChIInChI=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
InChIKeyFTBXYLDGPNCRAQ-UHFFFAOYSA-N
XLogP5.28
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.81
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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).