4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid

C26H17FN2O2 — CID 11952606

IUPAC4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc3[nH]cc(-c4ccc(-c5ccccc5)c(F)c4)c3c2)cc1
InChIInChI=1S/C26H17FN2O2/c27-24-13-19(10-11-21(24)17-4-2-1-3-5-17)23-15-29-25-22(23)12-20(14-28-25)16-6-8-18(9-7-16)26(30)31/h1-15H,(H,28,29)(H,30,31)
InChIKeyIFIVHHSAINDXOU-UHFFFAOYSA-N
MW408.43 g/mol
LogP6.40
Rot. Bonds4

About 4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid

4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid (PubChem CID 11952606) has the molecular formula C26H17FN2O2 and a molecular weight of 408.43 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid
PubChem CID11952606
Molecular FormulaC26H17FN2O2
Molecular Weight408.43 g/mol
Exact Mass408.13
IUPAC Name4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc3[nH]cc(-c4ccc(-c5ccccc5)c(F)c4)c3c2)cc1
InChIInChI=1S/C26H17FN2O2/c27-24-13-19(10-11-21(24)17-4-2-1-3-5-17)23-15-29-25-22(23)12-20(14-28-25)16-6-8-18(9-7-16)26(30)31/h1-15H,(H,28,29)(H,30,31)
InChIKeyIFIVHHSAINDXOU-UHFFFAOYSA-N
XLogP6.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.43
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic 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 4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid?
The IUPAC name of 4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid (CID 11952606) is 4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid.
What is the SMILES notation for 4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid?
The canonical SMILES for 4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid is O=C(O)c1ccc(-c2cnc3[nH]cc(-c4ccc(-c5ccccc5)c(F)c4)c3c2)cc1.
What is the InChIKey of 4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid?
The InChIKey is IFIVHHSAINDXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN2O2/c27-24-13-19(10-11-21(24)17-4-2-1-3-5-17)23-15-29-25-22(23)12-20(14-28-25)16-6-8-18(9-7-16)26(30)31/h1-15H,(H,28,29)(H,30,31).
What are the key properties of 4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid?
4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid has a molecular weight of 408.43 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid is sourced from PubChem (CID 11952606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).