7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol

C₅₁H₆₆N₈O₄ — CID 159638599

About 7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol

7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol (PubChem CID 159638599) has the molecular formula C₅₁H₆₆N₈O₄ and a molecular weight of 855.14 g/mol. Its IUPAC name is 7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol
• PubChem CID: 159638599
• Molecular Formula: C₅₁H₆₆N₈O₄
• Molecular Weight: 855.14 g/mol
• Exact Mass: 854.52
• IUPAC Name: 7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol
• SMILES: COc1ccc2cc(-c3ccc(N(C)C4CC(C)(C)N(C)C(C)(C)C4)nn3)c(O)cc2c1.COc1ccc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2c1
• InChI: InChI=1S/C26H34N4O2.C25H32N4O2/c1-25(2)15-19(16-26(3,4)30(25)6)29(5)24-11-10-22(27-28-24)21-13-17-8-9-20(32-7)12-18(17)14-23(21)31;1-24(2)14-18(15-25(3,4)28-24)29(5)23-10-9-21(26-27-23)20-12-16-7-8-19(31-6)11-17(16)13-22(20)30/h8-14,19,31H,15-16H2,1-7H3;7-13,18,28,30H,14-15H2,1-6H3
• InChIKey: MQBDDELVLCIOSV-UHFFFAOYSA-N
• XLogP: 9.85
• TPSA: 132.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	855.14
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol?

The IUPAC name of 7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol (CID 159638599) is 7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol.

What is the SMILES notation for 7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol?

The canonical SMILES for 7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol is COc1ccc2cc(-c3ccc(N(C)C4CC(C)(C)N(C)C(C)(C)C4)nn3)c(O)cc2c1.COc1ccc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2c1.

What is the InChIKey of 7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol?

The InChIKey is MQBDDELVLCIOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2.C25H32N4O2/c1-25(2)15-19(16-26(3,4)30(25)6)29(5)24-11-10-22(27-28-24)21-13-17-8-9-20(32-7)12-18(17)14-23(21)31;1-24(2)14-18(15-25(3,4)28-24)29(5)23-10-9-21(26-27-23)20-12-16-7-8-19(31-6)11-17(16)13-22(20)30/h8-14,19,31H,15-16H2,1-7H3;7-13,18,28,30H,14-15H2,1-6H3.

What are the key properties of 7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol?

7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol has a molecular weight of 855.14 g/mol, XLogP of 9.85, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-3-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol;7-methoxy-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol is sourced from PubChem (CID 159638599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159638599 — identifiers, structure, computed properties (public domain)

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