6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide

C23H25ClF2N8O2 — CID 139508168

About 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide

6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide (PubChem CID 139508168) has the molecular formula C23H25ClF2N8O2 and a molecular weight of 518.96 g/mol. Its IUPAC name is 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
• PubChem CID: 139508168
• Molecular Formula: C23H25ClF2N8O2
• Molecular Weight: 518.96 g/mol
• Exact Mass: 518.18
• IUPAC Name: 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
• SMILES: CC(C)(O)C(F)CNC(=O)c1cnc(-c2cnc3cc(Cl)cnn23)cc1Nc1cnn(CCCF)c1
• InChI: InChI=1S/C23H25ClF2N8O2/c1-23(2,36)20(26)12-29-22(35)16-10-27-18(19-11-28-21-6-14(24)8-31-34(19)21)7-17(16)32-15-9-30-33(13-15)5-3-4-25/h6-11,13,20,36H,3-5,12H2,1-2H3,(H,27,32)(H,29,35)
• InChIKey: OVWLVMBGOIDFTA-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 122.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.96
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?

The IUPAC name of 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide (CID 139508168) is 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?

The canonical SMILES for 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(-c2cnc3cc(Cl)cnn23)cc1Nc1cnn(CCCF)c1.

What is the InChIKey of 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?

The InChIKey is OVWLVMBGOIDFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N8O2/c1-23(2,36)20(26)12-29-22(35)16-10-27-18(19-11-28-21-6-14(24)8-31-34(19)21)7-17(16)32-15-9-30-33(13-15)5-3-4-25/h6-11,13,20,36H,3-5,12H2,1-2H3,(H,27,32)(H,29,35).

What are the key properties of 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?

6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 518.96 g/mol, XLogP of 3.58, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 139508168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).