2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol

C21H25FN6O2 — CID 155287162

IUPAC2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol
SMILESCC1(C)C[C@H](Oc2ccc(-c3ncc(-n4ccnc4)cc3O)nn2)[C@H](F)C(C)(C)N1
InChIInChI=1S/C21H25FN6O2/c1-20(2)10-16(19(22)21(3,4)27-20)30-17-6-5-14(25-26-17)18-15(29)9-13(11-24-18)28-8-7-23-12-28/h5-9,11-12,16,19,27,29H,10H2,1-4H3/t16-,19-/m0/s1
InChIKeyUWWFBJZCRNFLKT-LPHOPBHVSA-N
MW412.47 g/mol
LogP3.07
Rot. Bonds4

About 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol

2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol (PubChem CID 155287162) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol
PubChem CID155287162
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC Name2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol
SMILESCC1(C)C[C@H](Oc2ccc(-c3ncc(-n4ccnc4)cc3O)nn2)[C@H](F)C(C)(C)N1
InChIInChI=1S/C21H25FN6O2/c1-20(2)10-16(19(22)21(3,4)27-20)30-17-6-5-14(25-26-17)18-15(29)9-13(11-24-18)28-8-7-23-12-28/h5-9,11-12,16,19,27,29H,10H2,1-4H3/t16-,19-/m0/s1
InChIKeyUWWFBJZCRNFLKT-LPHOPBHVSA-N
XLogP3.07
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 155287411
2-[6-[[(1S,2R,3R,5S,6R)-2-fluoro-6-methoxy-1,5,8-trimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369738
2-[5-[[(1R,2R,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 167368224
5-imidazol-1-yl-2-[6-[[(1R,4R,5S)-1-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]phenol
CID 167370190
2-[6-[[(1S,4S,5R,6S)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.2]octan-5-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 175847676
2-[3-[[(1S,2R,3R,5S,6R)-2,6-difluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 162777701
2-[6-[[(1R,4R,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.2]octan-5-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 175847621
(1S,2R,3R,5S,6R)-2-fluoro-3-[[6-(2-hydroxy-4-imidazol-1-ylphenyl)-1,2,4-triazin-3-yl]oxy]-1,5-dimethyl-8-azabicyclo[3.2.1]octan-6-ol
CID 166971503
2-[6-[[(1S,5S,6S)-6-fluoro-1-methyl-2-azabicyclo[2.2.2]octan-5-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369976
2-[6-[[(1R,3R,4S,5S)-4-fluoro-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167370147
2-[6-[[(1S,3S,5R)-7,7-difluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369792
5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
CID 155287326

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol?
The IUPAC name of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol (CID 155287162) is 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol.
What is the SMILES notation for 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol?
The canonical SMILES for 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol is CC1(C)C[C@H](Oc2ccc(-c3ncc(-n4ccnc4)cc3O)nn2)[C@H](F)C(C)(C)N1.
What is the InChIKey of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol?
The InChIKey is UWWFBJZCRNFLKT-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-20(2)10-16(19(22)21(3,4)27-20)30-17-6-5-14(25-26-17)18-15(29)9-13(11-24-18)28-8-7-23-12-28/h5-9,11-12,16,19,27,29H,10H2,1-4H3/t16-,19-/m0/s1.
What are the key properties of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol?
2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol has a molecular weight of 412.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol is sourced from PubChem (CID 155287162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).