N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide

C26H22F4N6O2 — CID 11699332

About N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide

N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 11699332) has the molecular formula C26H22F4N6O2 and a molecular weight of 526.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide
• PubChem CID: 11699332
• Molecular Formula: C26H22F4N6O2
• Molecular Weight: 526.49 g/mol
• Exact Mass: 526.17
• IUPAC Name: N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1)c1cn2nc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ccc2n1
• InChI: InChI=1S/C26H22F4N6O2/c27-18-7-5-17(6-8-18)15-31-24(37)21-16-36-22(32-21)9-10-23(33-36)34-11-13-35(14-12-34)25(38)19-3-1-2-4-20(19)26(28,29)30/h1-10,16H,11-15H2,(H,31,37)
• InChIKey: RWGDYMLWUNTSIJ-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 82.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.49
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide (CID 11699332) is N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cn2nc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ccc2n1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide?

The InChIKey is RWGDYMLWUNTSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N6O2/c27-18-7-5-17(6-8-18)15-31-24(37)21-16-36-22(32-21)9-10-23(33-36)34-11-13-35(14-12-34)25(38)19-3-1-2-4-20(19)26(28,29)30/h1-10,16H,11-15H2,(H,31,37).

What are the key properties of N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide?

N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 526.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 11699332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).