6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine

C21H12FN5S — CID 23537387

About 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine

6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine (PubChem CID 23537387) has the molecular formula C21H12FN5S and a molecular weight of 385.43 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine
• PubChem CID: 23537387
• Molecular Formula: C21H12FN5S
• Molecular Weight: 385.43 g/mol
• Exact Mass: 385.08
• IUPAC Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine
• SMILES: [C-]#[N+]c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1
• InChI: InChI=1S/C21H12FN5S/c1-23-20-9-7-18(28-20)17-11-24-19-8-4-14(12-27(17)19)16-10-25-26-21(16)13-2-5-15(22)6-3-13/h2-12H,(H,25,26)
• InChIKey: BQENZFVJNCZGQK-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 50.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.43
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine?

The IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine (CID 23537387) is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine.

What is the SMILES notation for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine?

The canonical SMILES for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine is [C-]#[N+]c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1.

What is the InChIKey of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine?

The InChIKey is BQENZFVJNCZGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN5S/c1-23-20-9-7-18(28-20)17-11-24-19-8-4-14(12-27(17)19)16-10-25-26-21(16)13-2-5-15(22)6-3-13/h2-12H,(H,25,26).

What are the key properties of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine?

6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 385.43 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 23537387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).