4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide

C25H17ClFN5O — CID 143255054

About 4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide

4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide (PubChem CID 143255054) has the molecular formula C25H17ClFN5O and a molecular weight of 457.90 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide
• PubChem CID: 143255054
• Molecular Formula: C25H17ClFN5O
• Molecular Weight: 457.90 g/mol
• Exact Mass: 457.11
• IUPAC Name: 4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide
• SMILES: Cc1cc(Cl)ccc1C(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc3cccnn23)ccn1
• InChI: InChI=1S/C25H17ClFN5O/c1-15-13-18(26)6-9-20(15)25(33)30-21-14-17(10-12-28-21)24-23(16-4-7-19(27)8-5-16)31-22-3-2-11-29-32(22)24/h2-14H,1H3,(H,28,30,33)
• InChIKey: PLXCOUUSLQOFAB-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.90
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide?

The IUPAC name of 4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide (CID 143255054) is 4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide.

What is the SMILES notation for 4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide?

The canonical SMILES for 4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc3cccnn23)ccn1.

What is the InChIKey of 4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide?

The InChIKey is PLXCOUUSLQOFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFN5O/c1-15-13-18(26)6-9-20(15)25(33)30-21-14-17(10-12-28-21)24-23(16-4-7-19(27)8-5-16)31-22-3-2-11-29-32(22)24/h2-14H,1H3,(H,28,30,33).

What are the key properties of 4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide?

4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide has a molecular weight of 457.90 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 143255054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).