3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid

C24H21FN2O3 — CID 22558648

IUPAC3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid
SMILESCn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCc3cccc(F)c3)ccc21
InChIInChI=1S/C24H21FN2O3/c1-27-22-8-7-18(13-19(22)14-26-27)21-12-16(6-10-24(28)29)5-9-23(21)30-15-17-3-2-4-20(25)11-17/h2-5,7-9,11-14H,6,10,15H2,1H3,(H,28,29)
InChIKeyMPABJIGLIBKLSA-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.98
Rot. Bonds7

About 3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid

3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid (PubChem CID 22558648) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is 3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid
PubChem CID22558648
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid
SMILESCn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCc3cccc(F)c3)ccc21
InChIInChI=1S/C24H21FN2O3/c1-27-22-8-7-18(13-19(22)14-26-27)21-12-16(6-10-24(28)29)5-9-23(21)30-15-17-3-2-4-20(25)11-17/h2-5,7-9,11-14H,6,10,15H2,1H3,(H,28,29)
InChIKeyMPABJIGLIBKLSA-UHFFFAOYSA-N
XLogP4.98
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid (CID 22558648) is 3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid is Cn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCc3cccc(F)c3)ccc21.
What is the InChIKey of 3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid?
The InChIKey is MPABJIGLIBKLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-27-22-8-7-18(13-19(22)14-26-27)21-12-16(6-10-24(28)29)5-9-23(21)30-15-17-3-2-4-20(25)11-17/h2-5,7-9,11-14H,6,10,15H2,1H3,(H,28,29).
What are the key properties of 3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid?
3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid has a molecular weight of 404.44 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluorophenyl)methoxy]-3-(1-methylindazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 22558648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).