5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one

C26H30F3N5O2 — CID 136633749

About 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one

5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 136633749) has the molecular formula C26H30F3N5O2 and a molecular weight of 501.55 g/mol. Its IUPAC name is 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
• PubChem CID: 136633749
• Molecular Formula: C26H30F3N5O2
• Molecular Weight: 501.55 g/mol
• Exact Mass: 501.24
• IUPAC Name: 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
• SMILES: CN(c1ccc(-c2ccc(-c3c[nH]c(=O)c(C(F)(F)F)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C26H30F3N5O2/c1-24(2)12-17(13-25(3,4)33-24)34(5)22-9-8-20(31-32-22)18-7-6-15(11-21(18)35)16-10-19(26(27,28)29)23(36)30-14-16/h6-11,14,17,33,35H,12-13H2,1-5H3,(H,30,36)
• InChIKey: BBGPMLVIXOSLLE-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 94.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.55
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one?

The IUPAC name of 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one (CID 136633749) is 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one.

What is the SMILES notation for 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one?

The canonical SMILES for 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one is CN(c1ccc(-c2ccc(-c3c[nH]c(=O)c(C(F)(F)F)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one?

The InChIKey is BBGPMLVIXOSLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O2/c1-24(2)12-17(13-25(3,4)33-24)34(5)22-9-8-20(31-32-22)18-7-6-15(11-21(18)35)16-10-19(26(27,28)29)23(36)30-14-16/h6-11,14,17,33,35H,12-13H2,1-5H3,(H,30,36).

What are the key properties of 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one?

5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 501.55 g/mol, XLogP of 4.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 136633749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).