4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C49H54ClFN10O4 — CID 159479032

About 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 159479032) has the molecular formula C49H54ClFN10O4 and a molecular weight of 901.49 g/mol. Its IUPAC name is 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
• PubChem CID: 159479032
• Molecular Formula: C49H54ClFN10O4
• Molecular Weight: 901.49 g/mol
• Exact Mass: 900.40
• IUPAC Name: 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
• SMILES: Cc1cc(-c2cnc3c(NCC(C)(C)O)cc(-c4ccc(F)cc4C)nn23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnc3c(NCC(C)(C)O)cc(Cl)nn23)ccc1C(=O)NC1CC1
• InChI: InChI=1S/C28H30FN5O2.C21H24ClN5O2/c1-16-11-18(5-9-22(16)27(35)32-20-7-8-20)25-14-30-26-24(31-15-28(3,4)36)13-23(33-34(25)26)21-10-6-19(29)12-17(21)2;1-12-8-13(4-7-15(12)20(28)25-14-5-6-14)17-10-23-19-16(24-11-21(2,3)29)9-18(22)26-27(17)19/h5-6,9-14,20,31,36H,7-8,15H2,1-4H3,(H,32,35);4,7-10,14,24,29H,5-6,11H2,1-3H3,(H,25,28)
• InChIKey: LWTLPGPGHSLXCY-UHFFFAOYSA-N
• XLogP: 8.33
• TPSA: 183.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	901.49
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The IUPAC name of 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 159479032) is 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

What is the SMILES notation for 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The canonical SMILES for 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnc3c(NCC(C)(C)O)cc(-c4ccc(F)cc4C)nn23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnc3c(NCC(C)(C)O)cc(Cl)nn23)ccc1C(=O)NC1CC1.

What is the InChIKey of 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The InChIKey is LWTLPGPGHSLXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O2.C21H24ClN5O2/c1-16-11-18(5-9-22(16)27(35)32-20-7-8-20)25-14-30-26-24(31-15-28(3,4)36)13-23(33-34(25)26)21-10-6-19(29)12-17(21)2;1-12-8-13(4-7-15(12)20(28)25-14-5-6-14)17-10-23-19-16(24-11-21(2,3)29)9-18(22)26-27(17)19/h5-6,9-14,20,31,36H,7-8,15H2,1-4H3,(H,32,35);4,7-10,14,24,29H,5-6,11H2,1-3H3,(H,25,28).

What are the key properties of 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 901.49 g/mol, XLogP of 8.33, 13 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 159479032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).