1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide

C17H18F3N5O2S2 — CID 178079392

About 1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide

1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide (PubChem CID 178079392) has the molecular formula C17H18F3N5O2S2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide.

Molecular Properties

• Compound Name: 1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide
• PubChem CID: 178079392
• Molecular Formula: C17H18F3N5O2S2
• Molecular Weight: 445.49 g/mol
• Exact Mass: 445.09
• IUPAC Name: 1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide
• SMILES: CN1CCC(S(=O)(=O)Nc2ccc3ncc(-c4ccc(C(F)(F)F)s4)n3n2)CC1
• InChI: InChI=1S/C17H18F3N5O2S2/c1-24-8-6-11(7-9-24)29(26,27)23-15-4-5-16-21-10-12(25(16)22-15)13-2-3-14(28-13)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,22,23)
• InChIKey: AXDYJIWIEAMTEI-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.49
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide?

The IUPAC name of 1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide (CID 178079392) is 1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide.

What is the SMILES notation for 1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide?

The canonical SMILES for 1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide is CN1CCC(S(=O)(=O)Nc2ccc3ncc(-c4ccc(C(F)(F)F)s4)n3n2)CC1.

What is the InChIKey of 1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide?

The InChIKey is AXDYJIWIEAMTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2S2/c1-24-8-6-11(7-9-24)29(26,27)23-15-4-5-16-21-10-12(25(16)22-15)13-2-3-14(28-13)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,22,23).

What are the key properties of 1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide?

1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide has a molecular weight of 445.49 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide is sourced from PubChem (CID 178079392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).