N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide

C24H19N7O3S — CID 16873680

About N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 16873680) has the molecular formula C24H19N7O3S and a molecular weight of 485.53 g/mol. Its IUPAC name is N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide
• PubChem CID: 16873680
• Molecular Formula: C24H19N7O3S
• Molecular Weight: 485.53 g/mol
• Exact Mass: 485.13
• IUPAC Name: N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nnc(-c5cccnc5)n4n3)cc2)cc1
• InChI: InChI=1S/C24H19N7O3S/c1-16(32)26-19-8-10-21(11-9-19)35(33,34)30-20-6-4-17(5-7-20)22-12-13-23-27-28-24(31(23)29-22)18-3-2-14-25-15-18/h2-15,30H,1H3,(H,26,32)
• InChIKey: PZWUYYSWCPFTGQ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 131.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.53
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide?

The IUPAC name of N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide (CID 16873680) is N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide?

The canonical SMILES for N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nnc(-c5cccnc5)n4n3)cc2)cc1.

What is the InChIKey of N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide?

The InChIKey is PZWUYYSWCPFTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O3S/c1-16(32)26-19-8-10-21(11-9-19)35(33,34)30-20-6-4-17(5-7-20)22-12-13-23-27-28-24(31(23)29-22)18-3-2-14-25-15-18/h2-15,30H,1H3,(H,26,32).

What are the key properties of N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide?

N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 485.53 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 16873680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).