N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C24H19F2N7O3S — CID 59233119

About N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233119) has the molecular formula C24H19F2N7O3S and a molecular weight of 523.53 g/mol. Its IUPAC name is N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 59233119
• Molecular Formula: C24H19F2N7O3S
• Molecular Weight: 523.53 g/mol
• Exact Mass: 523.12
• IUPAC Name: N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• SMILES: CS(=O)(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cc1
• InChI: InChI=1S/C24H19F2N7O3S/c1-37(35,36)17-7-4-14(5-8-17)16-6-10-21-29-30-23(32(21)12-16)24(25,26)18-9-11-20-27-19(13-33(20)31-18)28-22(34)15-2-3-15/h4-13,15H,2-3H2,1H3,(H,28,34)
• InChIKey: XSJXISMGBUIXJR-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 123.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.53
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233119) is N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CS(=O)(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cc1.

What is the InChIKey of N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The InChIKey is XSJXISMGBUIXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O3S/c1-37(35,36)17-7-4-14(5-8-17)16-6-10-21-29-30-23(32(21)12-16)24(25,26)18-9-11-20-27-19(13-33(20)31-18)28-22(34)15-2-3-15/h4-13,15H,2-3H2,1H3,(H,28,34).

What are the key properties of N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 523.53 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).