2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol

C24H25FN4O3 — CID 167369284

IUPAC2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol
SMILES[2H]C([2H])([2H])Oc1cc(-c2ccc(-c3ccc(O[C@@H]4C5CN(C)[C@](C)(C5)[C@@H]4F)nn3)c(O)c2)ccn1
InChIInChI=1S/C24H25FN4O3/c1-24-12-16(13-29(24)2)22(23(24)25)32-20-7-6-18(27-28-20)17-5-4-14(10-19(17)30)15-8-9-26-21(11-15)31-3/h4-11,16,22-23,30H,12-13H2,1-3H3/t16?,22-,23-,24-/m1/s1/i3D3
InChIKeyMANKMSKUHZATNM-RSUDECRGSA-N
MW439.51 g/mol
LogP3.73
Rot. Bonds6

About 2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol

2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol (PubChem CID 167369284) has the molecular formula C24H25FN4O3 and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol
PubChem CID167369284
Molecular FormulaC24H25FN4O3
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol
SMILES[2H]C([2H])([2H])Oc1cc(-c2ccc(-c3ccc(O[C@@H]4C5CN(C)[C@](C)(C5)[C@@H]4F)nn3)c(O)c2)ccn1
InChIInChI=1S/C24H25FN4O3/c1-24-12-16(13-29(24)2)22(23(24)25)32-20-7-6-18(27-28-20)17-5-4-14(10-19(17)30)15-8-9-26-21(11-15)31-3/h4-11,16,22-23,30H,12-13H2,1-3H3/t16?,22-,23-,24-/m1/s1/i3D3
InChIKeyMANKMSKUHZATNM-RSUDECRGSA-N
XLogP3.73
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol with MolForge

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Related Compounds

2-[6-[[(2R,3S)-2-fluoro-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(2-methoxy-4-pyridinyl)phenol
CID 167369771
2-[6-[[(1R,4R)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.2]octan-5-yl]oxy]pyridazin-3-yl]-5-(triazol-1-yl)phenol
CID 175847565
4-[4-[6-[[(1S,2S,3R,5R)-2-fluoro-1,5,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-3-hydroxyphenyl]-1-methyl-1,3,5-triazin-2-one
CID 167370258
2-[4-[6-[[(1S,2R,3R,5R)-2-fluoro-1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one
CID 167369641
5-(2-methoxy-4-pyridinyl)-2-[5-[(1,5,8-trimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazol-2-yl]phenol
CID 167368777
2-[6-[[(1R,2R,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162372726
4-[4-[5-[[(1R,4R,5S,6R)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.2]octan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-3-hydroxyphenyl]-1-methyl-1,3,5-triazin-2-one
CID 167368726
2-[6-[[(1S,2S,3R,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]oxy]-1,2,4-triazin-3-yl]-5-(2-methoxy-4-pyridinyl)phenol
CID 166579878
2-[6-[[(1S,5S,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167370208
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-[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-[5-[[(1R,3S,5S)-1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-(2-methoxy-4-pyridinyl)phenol
CID 167369189

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol?
The IUPAC name of 2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol (CID 167369284) is 2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol.
What is the SMILES notation for 2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol?
The canonical SMILES for 2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol is [2H]C([2H])([2H])Oc1cc(-c2ccc(-c3ccc(O[C@@H]4C5CN(C)[C@](C)(C5)[C@@H]4F)nn3)c(O)c2)ccn1.
What is the InChIKey of 2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol?
The InChIKey is MANKMSKUHZATNM-RSUDECRGSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-24-12-16(13-29(24)2)22(23(24)25)32-20-7-6-18(27-28-20)17-5-4-14(10-19(17)30)15-8-9-26-21(11-15)31-3/h4-11,16,22-23,30H,12-13H2,1-3H3/t16?,22-,23-,24-/m1/s1/i3D3.
What are the key properties of 2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol?
2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol has a molecular weight of 439.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1R,5R,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-[2-(trideuteriomethoxy)-4-pyridinyl]phenol is sourced from PubChem (CID 167369284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).