7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol

C25H31N3O — CID 137157841

IUPAC7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol
SMILESCc1ccc2cc(-c3ccc(CC4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2c1
InChIInChI=1S/C25H31N3O/c1-16-6-7-18-12-21(23(29)13-19(18)10-16)22-9-8-20(26-27-22)11-17-14-24(2,3)28-25(4,5)15-17/h6-10,12-13,17,28-29H,11,14-15H2,1-5H3
InChIKeyRHBZHCXEUGGXCK-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.41
Rot. Bonds3

About 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol

7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol (PubChem CID 137157841) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol.

Molecular Properties

Compound Name7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol
PubChem CID137157841
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol
SMILESCc1ccc2cc(-c3ccc(CC4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2c1
InChIInChI=1S/C25H31N3O/c1-16-6-7-18-12-21(23(29)13-19(18)10-16)22-9-8-20(26-27-22)11-17-14-24(2,3)28-25(4,5)15-17/h6-10,12-13,17,28-29H,11,14-15H2,1-5H3
InChIKeyRHBZHCXEUGGXCK-UHFFFAOYSA-N
XLogP5.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol?
The IUPAC name of 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol (CID 137157841) is 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol.
What is the SMILES notation for 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol?
The canonical SMILES for 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol is Cc1ccc2cc(-c3ccc(CC4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2c1.
What is the InChIKey of 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol?
The InChIKey is RHBZHCXEUGGXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-16-6-7-18-12-21(23(29)13-19(18)10-16)22-9-8-20(26-27-22)11-17-14-24(2,3)28-25(4,5)15-17/h6-10,12-13,17,28-29H,11,14-15H2,1-5H3.
What are the key properties of 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol?
7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol has a molecular weight of 389.54 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]naphthalen-2-ol is sourced from PubChem (CID 137157841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).