N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide

C24H20F4N6O4 — CID 154697489

About N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide

N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide (PubChem CID 154697489) has the molecular formula C24H20F4N6O4 and a molecular weight of 532.45 g/mol. Its IUPAC name is N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
• PubChem CID: 154697489
• Molecular Formula: C24H20F4N6O4
• Molecular Weight: 532.45 g/mol
• Exact Mass: 532.15
• IUPAC Name: N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
• SMILES: CCC(=O)Nc1cn2nc(-c3cnc(OC)c(C(=O)NCc4cc(OC(F)(F)F)ccc4F)c3)ccc2n1
• InChI: InChI=1S/C24H20F4N6O4/c1-3-21(35)32-19-12-34-20(31-19)7-6-18(33-34)14-9-16(23(37-2)30-11-14)22(36)29-10-13-8-15(4-5-17(13)25)38-24(26,27)28/h4-9,11-12H,3,10H2,1-2H3,(H,29,36)(H,32,35)
• InChIKey: JCVYLVCNYQQYOG-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.45
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?

The IUPAC name of N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide (CID 154697489) is N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide is CCC(=O)Nc1cn2nc(-c3cnc(OC)c(C(=O)NCc4cc(OC(F)(F)F)ccc4F)c3)ccc2n1.

What is the InChIKey of N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?

The InChIKey is JCVYLVCNYQQYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N6O4/c1-3-21(35)32-19-12-34-20(31-19)7-6-18(33-34)14-9-16(23(37-2)30-11-14)22(36)29-10-13-8-15(4-5-17(13)25)38-24(26,27)28/h4-9,11-12H,3,10H2,1-2H3,(H,29,36)(H,32,35).

What are the key properties of N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?

N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide has a molecular weight of 532.45 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154697489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).