6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide

C25H30F4N6O2 — CID 177158163

About 6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide

6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 177158163) has the molecular formula C25H30F4N6O2 and a molecular weight of 522.55 g/mol. Its IUPAC name is 6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

• Compound Name: 6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide
• PubChem CID: 177158163
• Molecular Formula: C25H30F4N6O2
• Molecular Weight: 522.55 g/mol
• Exact Mass: 522.24
• IUPAC Name: 6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide
• SMILES: CC(=O)NC1CCN(C2=NN3CC(C)(C)N=C3C(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3F)=C2)CC1
• InChI: InChI=1S/C25H30F4N6O2/c1-14(17-6-5-7-19(21(17)26)25(27,28)29)30-23(37)18-12-20(33-35-13-24(3,4)32-22(18)35)34-10-8-16(9-11-34)31-15(2)36/h5-7,12,14,16H,8-11,13H2,1-4H3,(H,30,37)(H,31,36)/t14-/m1/s1
• InChIKey: SSOUSVGHXSCXNZ-CQSZACIVSA-N
• XLogP: 3.37
• TPSA: 89.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.55
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide?

The IUPAC name of 6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide (CID 177158163) is 6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide.

What is the SMILES notation for 6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide?

The canonical SMILES for 6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide is CC(=O)NC1CCN(C2=NN3CC(C)(C)N=C3C(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3F)=C2)CC1.

What is the InChIKey of 6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide?

The InChIKey is SSOUSVGHXSCXNZ-CQSZACIVSA-N. The full InChI is InChI=1S/C25H30F4N6O2/c1-14(17-6-5-7-19(21(17)26)25(27,28)29)30-23(37)18-12-20(33-35-13-24(3,4)32-22(18)35)34-10-8-16(9-11-34)31-15(2)36/h5-7,12,14,16H,8-11,13H2,1-4H3,(H,30,37)(H,31,36)/t14-/m1/s1.

What are the key properties of 6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide?

6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 522.55 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 177158163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).