N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide

C24H32ClN7O4S — CID 123131774

About N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide

N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide (PubChem CID 123131774) has the molecular formula C24H32ClN7O4S and a molecular weight of 550.09 g/mol. Its IUPAC name is N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide
• PubChem CID: 123131774
• Molecular Formula: C24H32ClN7O4S
• Molecular Weight: 550.09 g/mol
• Exact Mass: 549.19
• IUPAC Name: N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide
• SMILES: COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1S(=O)(=O)NC1CCC(N)CC1
• InChI: InChI=1S/C24H32ClN7O4S/c1-14-23(32-24(29-14)19(13-22(25)30-32)28-11-10-27-15(2)33)16-4-9-20(36-3)21(12-16)37(34,35)31-18-7-5-17(26)6-8-18/h4,9,12-13,17-18,28,31H,5-8,10-11,26H2,1-3H3,(H,27,33)
• InChIKey: HORACVGDHNAIMC-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 152.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.09
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide?

The IUPAC name of N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide (CID 123131774) is N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide.

What is the SMILES notation for N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide?

The canonical SMILES for N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide is COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1S(=O)(=O)NC1CCC(N)CC1.

What is the InChIKey of N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide?

The InChIKey is HORACVGDHNAIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN7O4S/c1-14-23(32-24(29-14)19(13-22(25)30-32)28-11-10-27-15(2)33)16-4-9-20(36-3)21(12-16)37(34,35)31-18-7-5-17(26)6-8-18/h4,9,12-13,17-18,28,31H,5-8,10-11,26H2,1-3H3,(H,27,33).

What are the key properties of N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide?

N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide has a molecular weight of 550.09 g/mol, XLogP of 2.46, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[3-[3-[(4-aminocyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-chloro-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide is sourced from PubChem (CID 123131774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).