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

C23H29FN6O — CID 136633752

IUPAC5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-5-yl)phenol
SMILESCN(c1ccc(-c2cc(-c3ccn[nH]3)c(F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H29FN6O/c1-22(2)12-14(13-23(3,4)29-22)30(5)21-7-6-18(27-28-21)16-10-15(17(24)11-20(16)31)19-8-9-25-26-19/h6-11,14,29,31H,12-13H2,1-5H3,(H,25,26)
InChIKeyOPBNAPCFRMFDQW-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-5-yl)phenol

5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-5-yl)phenol (PubChem CID 136633752) 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-5-yl)phenol.

Molecular Properties

Compound Name5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-5-yl)phenol
PubChem CID136633752
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-5-yl)phenol
SMILESCN(c1ccc(-c2cc(-c3ccn[nH]3)c(F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H29FN6O/c1-22(2)12-14(13-23(3,4)29-22)30(5)21-7-6-18(27-28-21)16-10-15(17(24)11-20(16)31)19-8-9-25-26-19/h6-11,14,29,31H,12-13H2,1-5H3,(H,25,26)
InChIKeyOPBNAPCFRMFDQW-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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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-5-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-5-yl)phenol (CID 136633752) is 5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-5-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-5-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-5-yl)phenol is CN(c1ccc(-c2cc(-c3ccn[nH]3)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-5-yl)phenol?
The InChIKey is OPBNAPCFRMFDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O/c1-22(2)12-14(13-23(3,4)29-22)30(5)21-7-6-18(27-28-21)16-10-15(17(24)11-20(16)31)19-8-9-25-26-19/h6-11,14,29,31H,12-13H2,1-5H3,(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-5-yl)phenol?
5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-5-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-5-yl)phenol is sourced from PubChem (CID 136633752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).