3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

C22H18F2N4 — CID 162486125

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

3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 162486125) has the molecular formula C22H18F2N4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
• PubChem CID: 162486125
• Molecular Formula: C22H18F2N4
• Molecular Weight: 376.41 g/mol
• Exact Mass: 376.15
• IUPAC Name: 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
• SMILES: Fc1cccc(-c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)c1
• InChI: InChI=1S/C22H18F2N4/c23-17-6-1-4-15(12-17)19-8-3-11-27(19)22-10-9-21-25-14-20(28(21)26-22)16-5-2-7-18(24)13-16/h1-2,4-7,9-10,12-14,19H,3,8,11H2/t19-/m1/s1
• InChIKey: XJVDTUNSUTUUIZ-LJQANCHMSA-N
• XLogP: 5.02
• TPSA: 33.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.41
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (CID 162486125) is 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

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

The canonical SMILES for 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is Fc1cccc(-c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)c1.

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

The InChIKey is XJVDTUNSUTUUIZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H18F2N4/c23-17-6-1-4-15(12-17)19-8-3-11-27(19)22-10-9-21-25-14-20(28(21)26-22)16-5-2-7-18(24)13-16/h1-2,4-7,9-10,12-14,19H,3,8,11H2/t19-/m1/s1.

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

3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 376.41 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 162486125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).