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

C23H29FN6O — CID 136598235

IUPAC5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol
SMILESCN(c1ccc(-c2cc(-c3cn[nH]c3)c(F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H29FN6O/c1-22(2)10-15(11-23(3,4)29-22)30(5)21-7-6-19(27-28-21)17-8-16(14-12-25-26-13-14)18(24)9-20(17)31/h6-9,12-13,15,29,31H,10-11H2,1-5H3,(H,25,26)
InChIKeyITBRQEHNXUDHNM-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.12
Rot. Bonds4

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

5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol (PubChem CID 136598235) has the molecular formula C23H29FN6O and a molecular weight of 424.52 g/mol. Its IUPAC name is 5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol
PubChem CID136598235
Molecular FormulaC23H29FN6O
Molecular Weight424.52 g/mol
Exact Mass424.24
IUPAC Name5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol
SMILESCN(c1ccc(-c2cc(-c3cn[nH]c3)c(F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H29FN6O/c1-22(2)10-15(11-23(3,4)29-22)30(5)21-7-6-19(27-28-21)17-8-16(14-12-25-26-13-14)18(24)9-20(17)31/h6-9,12-13,15,29,31H,10-11H2,1-5H3,(H,25,26)
InChIKeyITBRQEHNXUDHNM-UHFFFAOYSA-N
XLogP4.12
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.12
H-Bond Donors ≤ 53
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
2-(6-((3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol
CID 136377184
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
3-Fluoro-4-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136661729
2-{[4-(3-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]methyl}phenol
CID 49667936
6-(2-fluoro-6-methoxyphenyl)-N-methyl-4-(1-methyl-1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 86710717
4,5-Difluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136253043

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol (CID 136598235) is 5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol is CN(c1ccc(-c2cc(-c3cn[nH]c3)c(F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol?
The InChIKey is ITBRQEHNXUDHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O/c1-22(2)10-15(11-23(3,4)29-22)30(5)21-7-6-19(27-28-21)17-8-16(14-12-25-26-13-14)18(24)9-20(17)31/h6-9,12-13,15,29,31H,10-11H2,1-5H3,(H,25,26).
What are the key properties of 5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol?
5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol has a molecular weight of 424.52 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 136598235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).