4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol

C20H25F3N4O2 — CID 136598241

IUPAC4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol
SMILESCC1(C)CC(Nc2ccc(-c3ccc(O)cc3OC(F)(F)F)nn2)CC(C)(C)N1
InChIInChI=1S/C20H25F3N4O2/c1-18(2)10-12(11-19(3,4)27-18)24-17-8-7-15(25-26-17)14-6-5-13(28)9-16(14)29-20(21,22)23/h5-9,12,27-28H,10-11H2,1-4H3,(H,24,26)
InChIKeyJHXKBTFMEYOPEH-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.47
Rot. Bonds4

About 4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol

4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol (PubChem CID 136598241) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol
PubChem CID136598241
Molecular FormulaC20H25F3N4O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC Name4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol
SMILESCC1(C)CC(Nc2ccc(-c3ccc(O)cc3OC(F)(F)F)nn2)CC(C)(C)N1
InChIInChI=1S/C20H25F3N4O2/c1-18(2)10-12(11-19(3,4)27-18)24-17-8-7-15(25-26-17)14-6-5-13(28)9-16(14)29-20(21,22)23/h5-9,12,27-28H,10-11H2,1-4H3,(H,24,26)
InChIKeyJHXKBTFMEYOPEH-UHFFFAOYSA-N
XLogP4.47
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol with MolForge

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Related Compounds

5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
US11208399, Example 82
CID 155284860
US11208399, Example 83a
CID 163200920
US11208399, Example 81
CID 155284783
US11208399, Example 83b
CID 163200921
US11208399, Example 84a
CID 163200922
US11208399, Example 84b
CID 163200923
US11208399, Example 87a
CID 163200924
US11208399, Example 87b
CID 163200925
3-[3-(2,4-Dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 127028767
3-[3-(2,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 127028445
2-[6-[[(3R)-1-(3,3-difluorocyclobutyl)piperidin-3-yl]amino]-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl]-5-(trifluoromethoxy)phenol
CID 177641888

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol?
The IUPAC name of 4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol (CID 136598241) is 4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol?
The canonical SMILES for 4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol is CC1(C)CC(Nc2ccc(-c3ccc(O)cc3OC(F)(F)F)nn2)CC(C)(C)N1.
What is the InChIKey of 4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol?
The InChIKey is JHXKBTFMEYOPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2/c1-18(2)10-12(11-19(3,4)27-18)24-17-8-7-15(25-26-17)14-6-5-13(28)9-16(14)29-20(21,22)23/h5-9,12,27-28H,10-11H2,1-4H3,(H,24,26).
What are the key properties of 4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol?
4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol has a molecular weight of 410.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol is sourced from PubChem (CID 136598241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).