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

C43H57N9O2 — CID 158819749

IUPAC2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccccc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H29N5O.C20H28N4O/c1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-11-15-7-6-10-24-19(15)12-20(17)29;1-19(2)12-14(13-20(3,4)23-19)24(5)18-11-10-16(21-22-18)15-8-6-7-9-17(15)25/h6-12,16,27,29H,13-14H2,1-5H3;6-11,14,23,25H,12-13H2,1-5H3
InChIKeyIVSFZROVEMBNOU-UHFFFAOYSA-N
MW731.99 g/mol
LogP7.74
Rot. Bonds6

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

2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 158819749) has the molecular formula C43H57N9O2 and a molecular weight of 731.99 g/mol. Its IUPAC name is 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
PubChem CID158819749
Molecular FormulaC43H57N9O2
Molecular Weight731.99 g/mol
Exact Mass731.46
IUPAC Name2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccccc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H29N5O.C20H28N4O/c1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-11-15-7-6-10-24-19(15)12-20(17)29;1-19(2)12-14(13-20(3,4)23-19)24(5)18-11-10-16(21-22-18)15-8-6-7-9-17(15)25/h6-12,16,27,29H,13-14H2,1-5H3;6-11,14,23,25H,12-13H2,1-5H3
InChIKeyIVSFZROVEMBNOU-UHFFFAOYSA-N
XLogP7.74
TPSA135.45 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500731.99
LogP ≤ 57.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol with MolForge

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Related Compounds

6-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 136607508
7-(6-(Methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)isoquinolin-6-ol
CID 136607554
7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]isoquinolin-6-ol
CID 154676839
6-[6-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol
CID 166586393
6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol
CID 166586401
7-[6-[[(1R,2R,4S,5R)-2,4-difluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]isoquinolin-6-ol
CID 166586418
6-[6-[[(3S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586460
6-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586539
6-[6-[[(2S,3R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586549
6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586558
6-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586609
6-[6-[[(1R,3R,5R)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586619

Frequently Asked Questions

What is the IUPAC name of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (CID 158819749) is 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.
What is the SMILES notation for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is CN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccccc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is IVSFZROVEMBNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O.C20H28N4O/c1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-11-15-7-6-10-24-19(15)12-20(17)29;1-19(2)12-14(13-20(3,4)23-19)24(5)18-11-10-16(21-22-18)15-8-6-7-9-17(15)25/h6-12,16,27,29H,13-14H2,1-5H3;6-11,14,23,25H,12-13H2,1-5H3.
What are the key properties of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 731.99 g/mol, XLogP of 7.74, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 158819749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).