N-[6-[[6-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C25H22F2N8O — CID 59233196

About N-[6-[[6-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[[6-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233196) has the molecular formula C25H22F2N8O and a molecular weight of 488.50 g/mol. Its IUPAC name is N-[6-[[6-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[[6-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 59233196
• Molecular Formula: C25H22F2N8O
• Molecular Weight: 488.50 g/mol
• Exact Mass: 488.19
• IUPAC Name: N-[6-[[6-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• SMILES: CN(C)c1cccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)c1
• InChI: InChI=1S/C25H22F2N8O/c1-33(2)18-5-3-4-16(12-18)17-8-10-22-30-31-24(34(22)13-17)25(26,27)19-9-11-21-28-20(14-35(21)32-19)29-23(36)15-6-7-15/h3-5,8-15H,6-7H2,1-2H3,(H,29,36)
• InChIKey: PLXQKQJJXSVFOP-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 92.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.50
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[6-[[6-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233196) is N-[6-[[6-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[6-[[6-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CN(C)c1cccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)c1.

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

The InChIKey is PLXQKQJJXSVFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N8O/c1-33(2)18-5-3-4-16(12-18)17-8-10-22-30-31-24(34(22)13-17)25(26,27)19-9-11-21-28-20(14-35(21)32-19)29-23(36)15-6-7-15/h3-5,8-15H,6-7H2,1-2H3,(H,29,36).

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

N-[6-[[6-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 488.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[6-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).