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

C17H15FN4O2 — CID 66684546

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

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 66684546) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
• PubChem CID: 66684546
• Molecular Formula: C17H15FN4O2
• Molecular Weight: 326.33 g/mol
• Exact Mass: 326.12
• IUPAC Name: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
• SMILES: O=C(O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
• InChI: InChI=1S/C17H15FN4O2/c18-12-4-1-3-11(9-12)13-5-2-8-21(13)16-7-6-15-19-10-14(17(23)24)22(15)20-16/h1,3-4,6-7,9-10,13H,2,5,8H2,(H,23,24)/t13-/m1/s1
• InChIKey: ZNYLSIQKGGLFAI-CYBMUJFWSA-N
• XLogP: 2.91
• TPSA: 70.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.33
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid (CID 66684546) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid.

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

The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid is O=C(O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.

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

The InChIKey is ZNYLSIQKGGLFAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-12-4-1-3-11(9-12)13-5-2-8-21(13)16-7-6-15-19-10-14(17(23)24)22(15)20-16/h1,3-4,6-7,9-10,13H,2,5,8H2,(H,23,24)/t13-/m1/s1.

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

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 326.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 66684546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).