3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline

C25H20FN5 — CID 58335793

About 3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline

3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline (PubChem CID 58335793) has the molecular formula C25H20FN5 and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline.

Molecular Properties

• Compound Name: 3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline
• PubChem CID: 58335793
• Molecular Formula: C25H20FN5
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.17
• IUPAC Name: 3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline
• SMILES: Fc1cccc(C2CCCN2c2ccc3ncc(-c4cnc5ccccc5c4)n3n2)c1
• InChI: InChI=1S/C25H20FN5/c26-20-7-3-6-18(14-20)22-9-4-12-30(22)25-11-10-24-28-16-23(31(24)29-25)19-13-17-5-1-2-8-21(17)27-15-19/h1-3,5-8,10-11,13-16,22H,4,9,12H2
• InChIKey: UUJXRADWRFWOTF-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 46.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline?

The IUPAC name of 3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline (CID 58335793) is 3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline.

What is the SMILES notation for 3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline?

The canonical SMILES for 3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline is Fc1cccc(C2CCCN2c2ccc3ncc(-c4cnc5ccccc5c4)n3n2)c1.

What is the InChIKey of 3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline?

The InChIKey is UUJXRADWRFWOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5/c26-20-7-3-6-18(14-20)22-9-4-12-30(22)25-11-10-24-28-16-23(31(24)29-25)19-13-17-5-1-2-8-21(17)27-15-19/h1-3,5-8,10-11,13-16,22H,4,9,12H2.

What are the key properties of 3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline?

3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline has a molecular weight of 409.47 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline is sourced from PubChem (CID 58335793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).