3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid

C24H20F2N2O3 — CID 59317791

IUPAC3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)c(CCc1ccccn1)cn2-c1cc(F)c(O)c(F)c1
InChIInChI=1S/C24H20F2N2O3/c25-20-12-18(13-21(26)24(20)31)28-14-16(6-7-17-3-1-2-10-27-17)19-11-15(4-8-22(19)28)5-9-23(29)30/h1-4,8,10-14,31H,5-7,9H2,(H,29,30)
InChIKeyFDCHGZKDJVJPDB-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.81
Rot. Bonds7

About 3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid

3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid (PubChem CID 59317791) has the molecular formula C24H20F2N2O3 and a molecular weight of 422.43 g/mol. Its IUPAC name is 3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid
PubChem CID59317791
Molecular FormulaC24H20F2N2O3
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Name3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)c(CCc1ccccn1)cn2-c1cc(F)c(O)c(F)c1
InChIInChI=1S/C24H20F2N2O3/c25-20-12-18(13-21(26)24(20)31)28-14-16(6-7-17-3-1-2-10-27-17)19-11-15(4-8-22(19)28)5-9-23(29)30/h1-4,8,10-14,31H,5-7,9H2,(H,29,30)
InChIKeyFDCHGZKDJVJPDB-UHFFFAOYSA-N
XLogP4.81
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid?
The IUPAC name of 3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid (CID 59317791) is 3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid?
The canonical SMILES for 3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid is O=C(O)CCc1ccc2c(c1)c(CCc1ccccn1)cn2-c1cc(F)c(O)c(F)c1.
What is the InChIKey of 3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid?
The InChIKey is FDCHGZKDJVJPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3/c25-20-12-18(13-21(26)24(20)31)28-14-16(6-7-17-3-1-2-10-27-17)19-11-15(4-8-22(19)28)5-9-23(29)30/h1-4,8,10-14,31H,5-7,9H2,(H,29,30).
What are the key properties of 3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid?
3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid has a molecular weight of 422.43 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)indol-5-yl]propanoic acid is sourced from PubChem (CID 59317791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).