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

IUPAC7-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
SMILESCOc1ccc2cc(-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
InChIInChI=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
InChIKeyMQBDDELVLCIOSV-UHFFFAOYSA-N
MW855.14 g/mol
LogP9.85
Rot. Bonds8

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 Name7-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 CID159638599
Molecular FormulaC51H66N8O4
Molecular Weight855.14 g/mol
Exact Mass854.52
IUPAC Name7-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
SMILESCOc1ccc2cc(-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
InChIInChI=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
InChIKeyMQBDDELVLCIOSV-UHFFFAOYSA-N
XLogP9.85
TPSA132.23 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500855.14
LogP ≤ 59.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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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).