4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid

C21H20F2N2O4 — CID 121447548

IUPAC4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid
SMILESO=C(O)CCCOc1c(F)cc(-n2ncc3ccc(OC4CCC4)cc32)cc1F
InChIInChI=1S/C21H20F2N2O4/c22-17-9-14(10-18(23)21(17)28-8-2-5-20(26)27)25-19-11-16(29-15-3-1-4-15)7-6-13(19)12-24-25/h6-7,9-12,15H,1-5,8H2,(H,26,27)
InChIKeyDSOAZERJAXPNTD-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.48
Rot. Bonds8

About 4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid

4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid (PubChem CID 121447548) has the molecular formula C21H20F2N2O4 and a molecular weight of 402.40 g/mol. Its IUPAC name is 4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid
PubChem CID121447548
Molecular FormulaC21H20F2N2O4
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC Name4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid
SMILESO=C(O)CCCOc1c(F)cc(-n2ncc3ccc(OC4CCC4)cc32)cc1F
InChIInChI=1S/C21H20F2N2O4/c22-17-9-14(10-18(23)21(17)28-8-2-5-20(26)27)25-19-11-16(29-15-3-1-4-15)7-6-13(19)12-24-25/h6-7,9-12,15H,1-5,8H2,(H,26,27)
InChIKeyDSOAZERJAXPNTD-UHFFFAOYSA-N
XLogP4.48
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[6-(Cyclopropylmethoxy)indol-1-yl]-2,6-difluorophenoxy]butanoic acid
CID 121447535
4-[2-Chloro-4-(6-cyclobutyloxyindazol-1-yl)-6-fluorophenoxy]butanoic acid
CID 121447544
4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluoro-N-methylanilino]butanoic acid
CID 121447549
4-[4-(6-Cyclobutyloxyindol-1-yl)-2,6-difluorophenoxy]butanoic acid
CID 121447550
2-[1-[4-(6-Cyclobutyloxyindazol-1-yl)-2,6-difluorophenyl]piperidin-4-yl]acetic acid
CID 121447099
2-[1-[4-(6-Cyclobutyloxyindazol-1-yl)-2,6-difluorophenyl]pyrrolidin-3-yl]acetic acid
CID 121447329
4-[2,6-Difluoro-4-(4-methoxyindol-1-yl)phenoxy]butanoic acid
CID 121447466
2-(4-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenoxy)acetic acid
CID 163233866
1-(4-((1-(3,4-Difluoro-5-hydroxyphenyl)-1H-indazol-5-yl)oxy)piperidin-1-yl)ethan-1-one
CID 163233878
1-(3-((1-(3,4-Difluoro-5-hydroxyphenyl)-1H-indazol-5-yl)oxy)azetidin-1-yl)ethan-1-one
CID 163233887
3-(4-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenoxy)propanoic acid
CID 163234082
2,3-Difluoro-5-(5-((1-(methylsulfonyl)piperidin-4-yl)oxy)-1H-indazol-1-yl)phenol
CID 163234192

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid?
The IUPAC name of 4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid (CID 121447548) is 4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid.
What is the SMILES notation for 4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid?
The canonical SMILES for 4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid is O=C(O)CCCOc1c(F)cc(-n2ncc3ccc(OC4CCC4)cc32)cc1F.
What is the InChIKey of 4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid?
The InChIKey is DSOAZERJAXPNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O4/c22-17-9-14(10-18(23)21(17)28-8-2-5-20(26)27)25-19-11-16(29-15-3-1-4-15)7-6-13(19)12-24-25/h6-7,9-12,15H,1-5,8H2,(H,26,27).
What are the key properties of 4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid?
4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid has a molecular weight of 402.40 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid is sourced from PubChem (CID 121447548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).