4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C47H52ClF3N12O4 — CID 159494840

About 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]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-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 159494840) has the molecular formula C47H52ClF3N12O4 and a molecular weight of 941.46 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-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]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-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
• PubChem CID: 159494840
• Molecular Formula: C47H52ClF3N12O4
• Molecular Weight: 941.46 g/mol
• Exact Mass: 940.39
• 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-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
• SMILES: Cc1cc(-c2cnc3c(NCC(C)(C)O)cc(-c4cc(C(F)(F)F)nn4C)nn23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnc3c(NCC(C)(C)O)cc(Cl)nn23)ccc1C(=O)NC1CC1
• InChI: InChI=1S/C26H28F3N7O2.C21H24ClN5O2/c1-14-9-15(5-8-17(14)24(37)32-16-6-7-16)21-12-30-23-19(31-13-25(2,3)38)10-18(33-36(21)23)20-11-22(26(27,28)29)34-35(20)4;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/h5,8-12,16,31,38H,6-7,13H2,1-4H3,(H,32,37);4,7-10,14,24,29H,5-6,11H2,1-3H3,(H,25,28)
• InChIKey: LYQOLWJXSICCBL-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 200.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	941.46
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

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-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]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-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 159494840) is 4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]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-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]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-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnc3c(NCC(C)(C)O)cc(-c4cc(C(F)(F)F)nn4C)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-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The InChIKey is LYQOLWJXSICCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N7O2.C21H24ClN5O2/c1-14-9-15(5-8-17(14)24(37)32-16-6-7-16)21-12-30-23-19(31-13-25(2,3)38)10-18(33-36(21)23)20-11-22(26(27,28)29)34-35(20)4;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/h5,8-12,16,31,38H,6-7,13H2,1-4H3,(H,32,37);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-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]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-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 941.46 g/mol, XLogP of 7.63, 13 rotatable bonds, 6 hydrogen bond donors, and 14 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-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 159494840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).