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

C24H28N6O — CID 136607585

IUPAC6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile
SMILESCN(c1ccc(-c2cc3nc(C#N)ccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H28N6O/c1-23(2)12-17(13-24(3,4)29-23)30(5)22-9-8-19(27-28-22)18-11-20-15(10-21(18)31)6-7-16(14-25)26-20/h6-11,17,29,31H,12-13H2,1-5H3
InChIKeyDPISPNALPFPKAB-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.01
Rot. Bonds3

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

6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile (PubChem CID 136607585) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile
PubChem CID136607585
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile
SMILESCN(c1ccc(-c2cc3nc(C#N)ccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H28N6O/c1-23(2)12-17(13-24(3,4)29-23)30(5)22-9-8-19(27-28-22)18-11-20-15(10-21(18)31)6-7-16(14-25)26-20/h6-11,17,29,31H,12-13H2,1-5H3
InChIKeyDPISPNALPFPKAB-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

Analyze 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile with MolForge

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Related Compounds

3-Hydroxy-4-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)benzonitrile
CID 136253042
7-(6-(Methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)isoquinolin-6-ol
CID 136607554
2-[5-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[2,3-d]pyridazin-8-yl]-5-(trifluoromethyl)phenol
CID 166518684
5-(2,6-difluoro-4-pyridinyl)-2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 154598919
2-[2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[2,3-d]pyridazin-8-yl]-5-(trifluoromethyl)phenol
CID 166518666
2-[2-methyl-8-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[2,3-d]pyridazin-5-yl]-5-(trifluoromethyl)phenol
CID 166518691
7-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]quinolin-6-ol
CID 166586269
4-[6-[[(1R,2R,3S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-hydroxybenzonitrile
CID 166586317
7-[6-[[(2S,3R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]quinolin-6-ol
CID 166586354
7-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol
CID 166586373
7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol
CID 166586389
7-[6-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol
CID 166586398

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile?
The IUPAC name of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile (CID 136607585) is 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile.
What is the SMILES notation for 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile?
The canonical SMILES for 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile is CN(c1ccc(-c2cc3nc(C#N)ccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile?
The InChIKey is DPISPNALPFPKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-23(2)12-17(13-24(3,4)29-23)30(5)22-9-8-19(27-28-22)18-11-20-15(10-21(18)31)6-7-16(14-25)26-20/h6-11,17,29,31H,12-13H2,1-5H3.
What are the key properties of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile?
6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-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 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carbonitrile is sourced from PubChem (CID 136607585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).