3-cyclopropyl-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methylbenzamide

C29H24FN5O — CID 163959039

About 3-cyclopropyl-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methylbenzamide

3-cyclopropyl-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 163959039) has the molecular formula C29H24FN5O and a molecular weight of 477.54 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methylbenzamide
• PubChem CID: 163959039
• Molecular Formula: C29H24FN5O
• Molecular Weight: 477.54 g/mol
• Exact Mass: 477.20
• IUPAC Name: 3-cyclopropyl-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methylbenzamide
• SMILES: Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccc(C)c(C4CC4)c3)c2)ccc1F
• InChI: InChI=1S/C29H24FN5O/c1-17-5-6-22(15-23(17)19-7-8-19)29(36)33-25-16-21(11-13-31-25)28-27(20-9-10-24(30)18(2)14-20)34-26-4-3-12-32-35(26)28/h3-6,9-16,19H,7-8H2,1-2H3,(H,31,33,36)
• InChIKey: SFWYWJFDDITSMZ-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.54
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-cyclopropyl-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methylbenzamide (CID 163959039) is 3-cyclopropyl-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methylbenzamide.

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

The canonical SMILES for 3-cyclopropyl-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methylbenzamide is Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccc(C)c(C4CC4)c3)c2)ccc1F.

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

The InChIKey is SFWYWJFDDITSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O/c1-17-5-6-22(15-23(17)19-7-8-19)29(36)33-25-16-21(11-13-31-25)28-27(20-9-10-24(30)18(2)14-20)34-26-4-3-12-32-35(26)28/h3-6,9-16,19H,7-8H2,1-2H3,(H,31,33,36).

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

3-cyclopropyl-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 477.54 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 163959039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).