7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile

C24H28N6O — CID 136607584

IUPAC7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile
SMILESCN(c1ccc(-c2cc3ccnc(C#N)c3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H28N6O/c1-23(2)12-16(13-24(3,4)29-23)30(5)22-7-6-19(27-28-22)18-10-15-8-9-26-20(14-25)17(15)11-21(18)31/h6-11,16,29,31H,12-13H2,1-5H3
InChIKeyYBVOKIUNQQDJBQ-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.01
Rot. Bonds3

About 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile

7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile (PubChem CID 136607584) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile
PubChem CID136607584
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile
SMILESCN(c1ccc(-c2cc3ccnc(C#N)c3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H28N6O/c1-23(2)12-16(13-24(3,4)29-23)30(5)22-7-6-19(27-28-22)18-10-15-8-9-26-20(14-25)17(15)11-21(18)31/h6-11,16,29,31H,12-13H2,1-5H3
InChIKeyYBVOKIUNQQDJBQ-UHFFFAOYSA-N
XLogP4.01
TPSA97.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile?
The IUPAC name of 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile (CID 136607584) is 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile.
What is the SMILES notation for 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile?
The canonical SMILES for 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile is CN(c1ccc(-c2cc3ccnc(C#N)c3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile?
The InChIKey is YBVOKIUNQQDJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-23(2)12-16(13-24(3,4)29-23)30(5)22-7-6-19(27-28-22)18-10-15-8-9-26-20(14-25)17(15)11-21(18)31/h6-11,16,29,31H,12-13H2,1-5H3.
What are the key properties of 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile?
7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile has a molecular weight of 416.53 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile is sourced from PubChem (CID 136607584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).