1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

C26H23F3N6O2 — CID 121104134

About 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 121104134) has the molecular formula C26H23F3N6O2 and a molecular weight of 508.50 g/mol. Its IUPAC name is 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
• PubChem CID: 121104134
• Molecular Formula: C26H23F3N6O2
• Molecular Weight: 508.50 g/mol
• Exact Mass: 508.18
• IUPAC Name: 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
• SMILES: O=C(Nc1ccccc1OC(F)(F)F)C1CCCN(c2ccc(-n3ccnc3-c3ccccc3)nn2)C1
• InChI: InChI=1S/C26H23F3N6O2/c27-26(28,29)37-21-11-5-4-10-20(21)31-25(36)19-9-6-15-34(17-19)22-12-13-23(33-32-22)35-16-14-30-24(35)18-7-2-1-3-8-18/h1-5,7-8,10-14,16,19H,6,9,15,17H2,(H,31,36)
• InChIKey: ICMXKNBFPXVVMA-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.50
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?

The IUPAC name of 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (CID 121104134) is 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)C1CCCN(c2ccc(-n3ccnc3-c3ccccc3)nn2)C1.

What is the InChIKey of 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?

The InChIKey is ICMXKNBFPXVVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O2/c27-26(28,29)37-21-11-5-4-10-20(21)31-25(36)19-9-6-15-34(17-19)22-12-13-23(33-32-22)35-16-14-30-24(35)18-7-2-1-3-8-18/h1-5,7-8,10-14,16,19H,6,9,15,17H2,(H,31,36).

What are the key properties of 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?

1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 508.50 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 121104134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).