3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid

C24H21FN2O4 — CID 134806052

IUPAC3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
SMILESCOc1cc(F)ccc1-c1ccc(COc2ccc3c(cnn3CCC(=O)O)c2)cc1
InChIInChI=1S/C24H21FN2O4/c1-30-23-13-19(25)6-8-21(23)17-4-2-16(3-5-17)15-31-20-7-9-22-18(12-20)14-26-27(22)11-10-24(28)29/h2-9,12-14H,10-11,15H2,1H3,(H,28,29)
InChIKeyHIGVPCAWEHGXLN-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.90
Rot. Bonds8

About 3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid

3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid (PubChem CID 134806052) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is 3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
PubChem CID134806052
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC Name3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
SMILESCOc1cc(F)ccc1-c1ccc(COc2ccc3c(cnn3CCC(=O)O)c2)cc1
InChIInChI=1S/C24H21FN2O4/c1-30-23-13-19(25)6-8-21(23)17-4-2-16(3-5-17)15-31-20-7-9-22-18(12-20)14-26-27(22)11-10-24(28)29/h2-9,12-14H,10-11,15H2,1H3,(H,28,29)
InChIKeyHIGVPCAWEHGXLN-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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid (CID 134806052) is 3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid is COc1cc(F)ccc1-c1ccc(COc2ccc3c(cnn3CCC(=O)O)c2)cc1.
What is the InChIKey of 3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
The InChIKey is HIGVPCAWEHGXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-30-23-13-19(25)6-8-21(23)17-4-2-16(3-5-17)15-31-20-7-9-22-18(12-20)14-26-27(22)11-10-24(28)29/h2-9,12-14H,10-11,15H2,1H3,(H,28,29).
What are the key properties of 3-[5-[[4-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
3-[5-[[4-(4-fluoro-2-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-(4-fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134806052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).