4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide

C52H59ClN12O4S — CID 157445787

About 4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide

4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 157445787) has the molecular formula C52H59ClN12O4S and a molecular weight of 983.64 g/mol. Its IUPAC name is 4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide
• PubChem CID: 157445787
• Molecular Formula: C52H59ClN12O4S
• Molecular Weight: 983.64 g/mol
• Exact Mass: 982.42
• IUPAC Name: 4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide
• SMILES: Cc1cc(-c2cnc3c(NCC4CN(C)CCO4)cc(Cl)nn23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnc3c(NCC4CN(C)CCO4)cc(Sc4ccccc4)nn23)ccc1C(=O)NC1CC1
• InChI: InChI=1S/C29H32N6O2S.C23H27ClN6O2/c1-19-14-20(8-11-24(19)29(36)32-21-9-10-21)26-17-31-28-25(30-16-22-18-34(2)12-13-37-22)15-27(33-35(26)28)38-23-6-4-3-5-7-23;1-14-9-15(3-6-18(14)23(31)27-16-4-5-16)20-12-26-22-19(10-21(24)28-30(20)22)25-11-17-13-29(2)7-8-32-17/h3-8,11,14-15,17,21-22,30H,9-10,12-13,16,18H2,1-2H3,(H,32,36);3,6,9-10,12,16-17,25H,4-5,7-8,11,13H2,1-2H3,(H,27,31)
• InChIKey: BSEZQWNYHNZPBF-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 167.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	983.64
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide?

The IUPAC name of 4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide (CID 157445787) is 4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide.

What is the SMILES notation for 4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide?

The canonical SMILES for 4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide is Cc1cc(-c2cnc3c(NCC4CN(C)CCO4)cc(Cl)nn23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnc3c(NCC4CN(C)CCO4)cc(Sc4ccccc4)nn23)ccc1C(=O)NC1CC1.

What is the InChIKey of 4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide?

The InChIKey is BSEZQWNYHNZPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2S.C23H27ClN6O2/c1-19-14-20(8-11-24(19)29(36)32-21-9-10-21)26-17-31-28-25(30-16-22-18-34(2)12-13-37-22)15-27(33-35(26)28)38-23-6-4-3-5-7-23;1-14-9-15(3-6-18(14)23(31)27-16-4-5-16)20-12-26-22-19(10-21(24)28-30(20)22)25-11-17-13-29(2)7-8-32-17/h3-8,11,14-15,17,21-22,30H,9-10,12-13,16,18H2,1-2H3,(H,32,36);3,6,9-10,12,16-17,25H,4-5,7-8,11,13H2,1-2H3,(H,27,31).

What are the key properties of 4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide?

4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 983.64 g/mol, XLogP of 7.48, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 157445787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).