3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid

C22H17FN2O4 — CID 163234082

IUPAC3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1
InChIInChI=1S/C22H17FN2O4/c23-19-7-4-17(12-21(19)26)25-20-8-3-15(11-16(20)13-24-25)14-1-5-18(6-2-14)29-10-9-22(27)28/h1-8,11-13,26H,9-10H2,(H,27,28)
InChIKeyKYAOIWNFKKPPBS-UHFFFAOYSA-N
MW392.39 g/mol
LogP4.39
Rot. Bonds6

About 3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid

3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid (PubChem CID 163234082) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is 3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid
PubChem CID163234082
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC Name3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1
InChIInChI=1S/C22H17FN2O4/c23-19-7-4-17(12-21(19)26)25-20-8-3-15(11-16(20)13-24-25)14-1-5-18(6-2-14)29-10-9-22(27)28/h1-8,11-13,26H,9-10H2,(H,27,28)
InChIKeyKYAOIWNFKKPPBS-UHFFFAOYSA-N
XLogP4.39
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Ethoxyphenyl)-1-(4-fluorophenyl)indazole
CID 46830800
1H-Indazole-5-acetic acid, 4-methoxy-1-phenyl-, methyl ester
CID 378733
5-(3-Ethoxyphenyl)-1-(4-fluorophenyl)indazole
CID 46830801
3-[5-[[4-(2-Fluoro-6-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134805022
3-[5-[[4-(4-Fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134806052
3-[5-[[4-(5-Fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134809110
3-[5-[[4-(3-Fluoro-5-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134809401
4-[4-(6-Cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid
CID 121447548
4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluoro-N-methylanilino]butanoic acid
CID 121447549
1H-Indazole-5-acetic acid, 4-methoxy-1-phenyl-
CID 3072445
3-[5-[[4-(2-Fluoro-3-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134808800
3-[5-[[4-[3-(Hydroxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134811232

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid?
The IUPAC name of 3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid (CID 163234082) is 3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid.
What is the SMILES notation for 3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid?
The canonical SMILES for 3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid is O=C(O)CCOc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1.
What is the InChIKey of 3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid?
The InChIKey is KYAOIWNFKKPPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4/c23-19-7-4-17(12-21(19)26)25-20-8-3-15(11-16(20)13-24-25)14-1-5-18(6-2-14)29-10-9-22(27)28/h1-8,11-13,26H,9-10H2,(H,27,28).
What are the key properties of 3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid?
3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid has a molecular weight of 392.39 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]propanoic acid is sourced from PubChem (CID 163234082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).