5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

C24H32N6O — CID 175516521

IUPAC5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1C(N(C)c2ccc(-c3ccc(-c4cnn(C)c4)cc3O)nn2)CCN(C)C1(C)C
InChIInChI=1S/C24H32N6O/c1-16-21(11-12-28(4)24(16,2)3)30(6)23-10-9-20(26-27-23)19-8-7-17(13-22(19)31)18-14-25-29(5)15-18/h7-10,13-16,21,31H,11-12H2,1-6H3
InChIKeyYXTULUNVIQBHKX-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.80
Rot. Bonds4

About 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 175516521) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID175516521
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1C(N(C)c2ccc(-c3ccc(-c4cnn(C)c4)cc3O)nn2)CCN(C)C1(C)C
InChIInChI=1S/C24H32N6O/c1-16-21(11-12-28(4)24(16,2)3)30(6)23-10-9-20(26-27-23)19-8-7-17(13-22(19)31)18-14-25-29(5)15-18/h7-10,13-16,21,31H,11-12H2,1-6H3
InChIKeyYXTULUNVIQBHKX-UHFFFAOYSA-N
XLogP3.80
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol
CID 175516517
6-[2-amino-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 170899036
2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 175538368
[3-[7-hydroxy-6-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-yl]oxypropylamino] 2,2-dimethylpropanoate
CID 175369420
2-[3-(3-amino-3-methylpyrrolidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 139549307
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-[1-(difluoromethyl)pyrazol-4-yl]phenol
CID 137464840
2-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154987934
2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
CID 170041170
2-[5-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 167368094
2-[6-[[(1R,2R,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162372726
5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one
CID 136633798
2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154598908

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 175516521) is 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is CC1C(N(C)c2ccc(-c3ccc(-c4cnn(C)c4)cc3O)nn2)CCN(C)C1(C)C.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is YXTULUNVIQBHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-16-21(11-12-28(4)24(16,2)3)30(6)23-10-9-20(26-27-23)19-8-7-17(13-22(19)31)18-14-25-29(5)15-18/h7-10,13-16,21,31H,11-12H2,1-6H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 420.56 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 175516521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).