3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid

C24H21FN2O4 — CID 134809401

IUPAC3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
SMILESCOc1cc(F)cc(-c2ccc(COc3ccc4c(cnn4CCC(=O)O)c3)cc2)c1
InChIInChI=1S/C24H21FN2O4/c1-30-22-11-18(10-20(25)13-22)17-4-2-16(3-5-17)15-31-21-6-7-23-19(12-21)14-26-27(23)9-8-24(28)29/h2-7,10-14H,8-9,15H2,1H3,(H,28,29)
InChIKeyPVFQVHAHIIGNOS-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.90
Rot. Bonds8

About 3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid

3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid (PubChem CID 134809401) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is 3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
PubChem CID134809401
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC Name3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
SMILESCOc1cc(F)cc(-c2ccc(COc3ccc4c(cnn4CCC(=O)O)c3)cc2)c1
InChIInChI=1S/C24H21FN2O4/c1-30-22-11-18(10-20(25)13-22)17-4-2-16(3-5-17)15-31-21-6-7-23-19(12-21)14-26-27(23)9-8-24(28)29/h2-7,10-14H,8-9,15H2,1H3,(H,28,29)
InChIKeyPVFQVHAHIIGNOS-UHFFFAOYSA-N
XLogP4.90
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid with MolForge

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Related Compounds

Methyl 2-[3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methylindazol-1-yl]acetate
CID 73388400
Methyl 2-[3-(2-fluoro-5-phenylmethoxyphenyl)indazol-1-yl]acetate
CID 73506474
Methyl 2-[3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]indazol-1-yl]acetate
CID 73507350
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-2,2-dimethyl-propanamide
CID 25011854
N-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-propan-2-yl]-2,2-dimethyl-propanamide
CID 25012190
N-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-propan-2-yl]-2-hydroxy-acetamide
CID 25013489
Methyl 2-[3-(2-fluoro-3-phenylmethoxyphenyl)indazol-1-yl]acetate
CID 73506263
Methyl 2-[3-(3-ethoxyphenyl)indazol-1-yl]acetate
CID 73505630
Methyl 2-[3-(3-phenoxyphenyl)indazol-1-yl]acetate
CID 73505832
Methyl 2-[3-[3-(2-phenylethoxy)phenyl]indazol-1-yl]acetate
CID 73506046
Methyl 2-[3-[3-(cyclohexylmethoxy)phenyl]indazol-1-yl]acetate
CID 73506047
Methyl 2-[3-[3-(2-methylpropoxy)phenyl]indazol-1-yl]acetate
CID 73506048

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid (CID 134809401) is 3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid is COc1cc(F)cc(-c2ccc(COc3ccc4c(cnn4CCC(=O)O)c3)cc2)c1.
What is the InChIKey of 3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
The InChIKey is PVFQVHAHIIGNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-30-22-11-18(10-20(25)13-22)17-4-2-16(3-5-17)15-31-21-6-7-23-19(12-21)14-26-27(23)9-8-24(28)29/h2-7,10-14H,8-9,15H2,1H3,(H,28,29).
What are the key properties of 3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid has a molecular weight of 420.44 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134809401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).