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

C47H57N11O3 — CID 159810648

IUPAC6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one
SMILESCN(c1ccc(-c2cc3c(=O)[nH]ccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3c(C#N)nccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H28N6O.C23H29N5O2/c1-23(2)12-16(13-24(3,4)29-23)30(5)22-7-6-19(27-28-22)18-11-17-15(10-21(18)31)8-9-26-20(17)14-25;1-22(2)12-15(13-23(3,4)27-22)28(5)20-7-6-18(25-26-20)17-11-16-14(10-19(17)29)8-9-24-21(16)30/h6-11,16,29,31H,12-13H2,1-5H3;6-11,15,27,29H,12-13H2,1-5H3,(H,24,30)
InChIKeyNKZCENHQOKBWCC-UHFFFAOYSA-N
MW824.05 g/mol
LogP7.45
Rot. Bonds6

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

6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one (PubChem CID 159810648) has the molecular formula C47H57N11O3 and a molecular weight of 824.05 g/mol. Its IUPAC name is 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one
PubChem CID159810648
Molecular FormulaC47H57N11O3
Molecular Weight824.05 g/mol
Exact Mass823.46
IUPAC Name6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one
SMILESCN(c1ccc(-c2cc3c(=O)[nH]ccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3c(C#N)nccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H28N6O.C23H29N5O2/c1-23(2)12-16(13-24(3,4)29-23)30(5)22-7-6-19(27-28-22)18-11-17-15(10-21(18)31)8-9-26-20(17)14-25;1-22(2)12-15(13-23(3,4)27-22)28(5)20-7-6-18(25-26-20)17-11-16-14(10-19(17)29)8-9-24-21(16)30/h6-11,16,29,31H,12-13H2,1-5H3;6-11,15,27,29H,12-13H2,1-5H3,(H,24,30)
InChIKeyNKZCENHQOKBWCC-UHFFFAOYSA-N
XLogP7.45
TPSA192.10 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.05
LogP ≤ 57.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one with MolForge

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Related Compounds

6-[4-[[2-[2-[6-[3-(dimethylcarbamoyl)-4-hydroxynaphthalen-1-yl]-3-pyridinyl]ethynyl]phenyl]methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 170406164
7-Hydroxy-6-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)isoquinoline-1-carbonitrile
CID 136607584
7-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol
CID 136607596
6-Hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide
CID 136607617
6-Hydroxy-7-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)isoquinoline-1-carbonitrile
CID 136933126
7-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-6-hydroxy-N-methylisoquinoline-3-carboxamide
CID 154598774
7-[6-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-6-hydroxy-N-methylisoquinoline-3-carboxamide
CID 154598987
6-hydroxy-N-methyl-7-[6-[methyl-[(1S,3R)-3-methyl-3-propylcycloheptyl]amino]pyridazin-3-yl]isoquinoline-3-carboxamide
CID 154987945
7-[6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.1]octanyl]-methylamino]pyridazin-3-yl]-6-hydroxy-N-methylisoquinoline-3-carboxamide
CID 154988071
7-[6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-methylamino]pyridazin-3-yl]-6-hydroxy-N-methylisoquinoline-3-carboxamide
CID 155091876
7-Hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-3-carbonitrile
CID 156332618
1-Methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol
CID 157134546

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]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one?
The IUPAC name of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one (CID 159810648) is 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one.
What is the SMILES notation for 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one?
The canonical SMILES for 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one is CN(c1ccc(-c2cc3c(=O)[nH]ccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3c(C#N)nccc3cc2O)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]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one?
The InChIKey is NKZCENHQOKBWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O.C23H29N5O2/c1-23(2)12-16(13-24(3,4)29-23)30(5)22-7-6-19(27-28-22)18-11-17-15(10-21(18)31)8-9-26-20(17)14-25;1-22(2)12-15(13-23(3,4)27-22)28(5)20-7-6-18(25-26-20)17-11-16-14(10-19(17)29)8-9-24-21(16)30/h6-11,16,29,31H,12-13H2,1-5H3;6-11,15,27,29H,12-13H2,1-5H3,(H,24,30).
What are the key properties of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one?
6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one has a molecular weight of 824.05 g/mol, XLogP of 7.45, 6 rotatable bonds, 5 hydrogen bond donors, and 13 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]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one is sourced from PubChem (CID 159810648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).