3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid

C36H25FN4O2 — CID 23537426

About 3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid

3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid (PubChem CID 23537426) has the molecular formula C36H25FN4O2 and a molecular weight of 564.62 g/mol. Its IUPAC name is 3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid.

Molecular Properties

• Compound Name: 3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid
• PubChem CID: 23537426
• Molecular Formula: C36H25FN4O2
• Molecular Weight: 564.62 g/mol
• Exact Mass: 564.20
• IUPAC Name: 3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid
• SMILES: O=C(O)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)c(F)c1
• InChI: InChI=1S/C36H25FN4O2/c37-32-20-25(35(42)43)16-18-31(32)33-22-38-34-19-17-26(23-40(33)34)27-21-39-41(24-27)36(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-24H,(H,42,43)
• InChIKey: WBKCLZCZCSTTMA-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 72.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.62
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid?

The IUPAC name of 3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid (CID 23537426) is 3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid.

What is the SMILES notation for 3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid?

The canonical SMILES for 3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid is O=C(O)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)c(F)c1.

What is the InChIKey of 3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid?

The InChIKey is WBKCLZCZCSTTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25FN4O2/c37-32-20-25(35(42)43)16-18-31(32)33-22-38-34-19-17-26(23-40(33)34)27-21-39-41(24-27)36(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-24H,(H,42,43).

What are the key properties of 3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid?

3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid has a molecular weight of 564.62 g/mol, XLogP of 7.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid is sourced from PubChem (CID 23537426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).