[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid

C24H22FN5O2 — CID 118158296

About [5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid

[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid (PubChem CID 118158296) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is [5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid.

Molecular Properties

• Compound Name: [5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid
• PubChem CID: 118158296
• Molecular Formula: C24H22FN5O2
• Molecular Weight: 431.47 g/mol
• Exact Mass: 431.18
• IUPAC Name: [5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid
• SMILES: Cc1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cc1NC(=O)O
• InChI: InChI=1S/C24H22FN5O2/c1-15-7-8-17(13-19(15)27-24(31)32)21-14-26-22-9-10-23(28-30(21)22)29-11-3-6-20(29)16-4-2-5-18(25)12-16/h2,4-5,7-10,12-14,20,27H,3,6,11H2,1H3,(H,31,32)
• InChIKey: CFQODMNOPPTAIC-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 82.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.47
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid?

The IUPAC name of [5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid (CID 118158296) is [5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid.

What is the SMILES notation for [5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid?

The canonical SMILES for [5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid is Cc1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cc1NC(=O)O.

What is the InChIKey of [5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid?

The InChIKey is CFQODMNOPPTAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-15-7-8-17(13-19(15)27-24(31)32)21-14-26-22-9-10-23(28-30(21)22)29-11-3-6-20(29)16-4-2-5-18(25)12-16/h2,4-5,7-10,12-14,20,27H,3,6,11H2,1H3,(H,31,32).

What are the key properties of [5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid?

[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid has a molecular weight of 431.47 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid is sourced from PubChem (CID 118158296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).