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

C23H29N5O — CID 136607554

IUPAC7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol
SMILESCN(c1ccc(-c2cc3cnccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H29N5O/c1-22(2)12-17(13-23(3,4)27-22)28(5)21-7-6-19(25-26-21)18-10-16-14-24-9-8-15(16)11-20(18)29/h6-11,14,17,27,29H,12-13H2,1-5H3
InChIKeyUISGQKNCYSNSMB-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.14
Rot. Bonds3

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

7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol (PubChem CID 136607554) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol.

Molecular Properties

Compound Name7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol
PubChem CID136607554
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol
SMILESCN(c1ccc(-c2cc3cnccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H29N5O/c1-22(2)12-17(13-23(3,4)27-22)28(5)21-7-6-19(25-26-21)18-10-16-14-24-9-8-15(16)11-20(18)29/h6-11,14,17,27,29H,12-13H2,1-5H3
InChIKeyUISGQKNCYSNSMB-UHFFFAOYSA-N
XLogP4.14
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol?
The IUPAC name of 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol (CID 136607554) is 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol.
What is the SMILES notation for 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol?
The canonical SMILES for 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol is CN(c1ccc(-c2cc3cnccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol?
The InChIKey is UISGQKNCYSNSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-22(2)12-17(13-23(3,4)27-22)28(5)21-7-6-19(25-26-21)18-10-16-14-24-9-8-15(16)11-20(18)29/h6-11,14,17,27,29H,12-13H2,1-5H3.
What are the key properties of 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol?
7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol has a molecular weight of 391.52 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol is sourced from PubChem (CID 136607554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).