5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole

C43H28ClFN6O — CID 23537660

About 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole

5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 23537660) has the molecular formula C43H28ClFN6O and a molecular weight of 699.19 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole
• PubChem CID: 23537660
• Molecular Formula: C43H28ClFN6O
• Molecular Weight: 699.19 g/mol
• Exact Mass: 698.20
• IUPAC Name: 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole
• SMILES: Fc1cc(Cl)ccc1-c1nc(-c2ccc(-c3cnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn34)cc2)no1
• InChI: InChI=1S/C43H28ClFN6O/c44-36-21-22-37(38(45)24-36)42-48-41(49-52-42)30-18-16-29(17-19-30)39-26-46-40-23-20-31(27-50(39)40)32-25-47-51(28-32)43(33-10-4-1-5-11-33,34-12-6-2-7-13-34)35-14-8-3-9-15-35/h1-28H
• InChIKey: PNWHZPJVSDAAID-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 74.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.19
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole (CID 23537660) is 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole is Fc1cc(Cl)ccc1-c1nc(-c2ccc(-c3cnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn34)cc2)no1.

What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole?

The InChIKey is PNWHZPJVSDAAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28ClFN6O/c44-36-21-22-37(38(45)24-36)42-48-41(49-52-42)30-18-16-29(17-19-30)39-26-46-40-23-20-31(27-50(39)40)32-25-47-51(28-32)43(33-10-4-1-5-11-33,34-12-6-2-7-13-34)35-14-8-3-9-15-35/h1-28H.

What are the key properties of 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole?

5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 699.19 g/mol, XLogP of 10.21, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 23537660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).