4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol

C25H27FN6O2 — CID 156699206

IUPAC4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4cc(F)c(-c5ccc(O)cc5)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/C25H27FN6O2/c1-24(2)12-15(13-25(3,4)30-24)32-23-21(28-31-32)11-20(27-29-23)18-9-19(26)17(10-22(18)34)14-5-7-16(33)8-6-14/h5-11,15,30,33-34H,12-13H2,1-4H3
InChIKeyGDAHALNLMUDALK-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.59
Rot. Bonds3

About 4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol

4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (PubChem CID 156699206) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol.

Molecular Properties

Compound Name4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
PubChem CID156699206
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4cc(F)c(-c5ccc(O)cc5)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/C25H27FN6O2/c1-24(2)12-15(13-25(3,4)30-24)32-23-21(28-31-32)11-20(27-29-23)18-9-19(26)17(10-22(18)34)14-5-7-16(33)8-6-14/h5-11,15,30,33-34H,12-13H2,1-4H3
InChIKeyGDAHALNLMUDALK-UHFFFAOYSA-N
XLogP4.59
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The IUPAC name of 4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (CID 156699206) is 4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol.
What is the SMILES notation for 4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The canonical SMILES for 4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is CC1(C)CC(n2nnc3cc(-c4cc(F)c(-c5ccc(O)cc5)cc4O)nnc32)CC(C)(C)N1.
What is the InChIKey of 4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The InChIKey is GDAHALNLMUDALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-24(2)12-15(13-25(3,4)30-24)32-23-21(28-31-32)11-20(27-29-23)18-9-19(26)17(10-22(18)34)14-5-7-16(33)8-6-14/h5-11,15,30,33-34H,12-13H2,1-4H3.
What are the key properties of 4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol has a molecular weight of 462.53 g/mol, XLogP of 4.59, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is sourced from PubChem (CID 156699206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).