5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

C22H27FN6O — CID 136626070

IUPAC5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(Nc2ccc(-c3cc(-c4ccn[nH]4)c(F)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C22H27FN6O/c1-21(2)11-13(12-22(3,4)29-21)25-20-6-5-17(27-28-20)15-9-14(16(23)10-19(15)30)18-7-8-24-26-18/h5-10,13,29-30H,11-12H2,1-4H3,(H,24,26)(H,25,28)
InChIKeyZOSMKBZFYADMLD-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.10
Rot. Bonds4

About 5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 136626070) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is 5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID136626070
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC Name5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(Nc2ccc(-c3cc(-c4ccn[nH]4)c(F)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C22H27FN6O/c1-21(2)11-13(12-22(3,4)29-21)25-20-6-5-17(27-28-20)15-9-14(16(23)10-19(15)30)18-7-8-24-26-18/h5-10,13,29-30H,11-12H2,1-4H3,(H,24,26)(H,25,28)
InChIKeyZOSMKBZFYADMLD-UHFFFAOYSA-N
XLogP4.10
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[[(1R,2S,3S,5S)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162644974
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)-5-(1H-pyrazol-1-yl)phenol
CID 136253041
5-(3-amino-1H-pyrazol-1-yl)-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136377142
Nvs-SM2
CID 136598218
2-[6-(2,7-Diazaspiro[4.5]dec-2-yl)-3-pyridazinyl]-5-(1H-pyrazol-4-yl)phenol
CID 136598257
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 137464784
US10308614, Example 52
CID 137029572
4-[5-(4-hydroxyphenyl)-3-(pyridin-4-ylmethylamino)-1H-pyrazol-4-yl]phenol
CID 137224975
3-Fluoro-4-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136661729
4,5-Difluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136253043
5-fluoro-4-(1H-imidazol-5-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136276655

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 136626070) is 5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is CC1(C)CC(Nc2ccc(-c3cc(-c4ccn[nH]4)c(F)cc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is ZOSMKBZFYADMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-21(2)11-13(12-22(3,4)29-21)25-20-6-5-17(27-28-20)15-9-14(16(23)10-19(15)30)18-7-8-24-26-18/h5-10,13,29-30H,11-12H2,1-4H3,(H,24,26)(H,25,28).
What are the key properties of 5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 410.50 g/mol, XLogP of 4.10, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 136626070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).