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

C21H22FN5O2 — CID 167369772

IUPAC2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol
SMILESC[C@@]12CN[C@@](C)(C1)[C@@H](F)[C@H]2Oc1ccc(-c2ccc(-n3cccn3)cc2O)nn1
InChIInChI=1S/C21H22FN5O2/c1-20-11-21(2,23-12-20)18(22)19(20)29-17-7-6-15(25-26-17)14-5-4-13(10-16(14)28)27-9-3-8-24-27/h3-10,18-19,23,28H,11-12H2,1-2H3/t18-,19+,20-,21-/m0/s1
InChIKeyNWADWAHJIFUDRT-WOZUAGRISA-N
MW395.44 g/mol
LogP2.89
Rot. Bonds4

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

2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol (PubChem CID 167369772) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol
PubChem CID167369772
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol
SMILESC[C@@]12CN[C@@](C)(C1)[C@@H](F)[C@H]2Oc1ccc(-c2ccc(-n3cccn3)cc2O)nn1
InChIInChI=1S/C21H22FN5O2/c1-20-11-21(2,23-12-20)18(22)19(20)29-17-7-6-15(25-26-17)14-5-4-13(10-16(14)28)27-9-3-8-24-27/h3-10,18-19,23,28H,11-12H2,1-2H3/t18-,19+,20-,21-/m0/s1
InChIKeyNWADWAHJIFUDRT-WOZUAGRISA-N
XLogP2.89
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-[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
2-[6-[[(1S,4S,5S,6S)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.2]octan-5-yl]oxy]pyridazin-3-yl]-5-(4-methylimidazol-1-yl)phenol
CID 167370052
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-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol
CID 136626067
2-[6-[(2,6-difluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
CID 167360602
5-(3-methylpyrazol-1-yl)-2-[6-[(2,6,6-trifluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]phenol
CID 167360499
2-[6-[(2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
CID 167360710
3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine
CID 140634406
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
2-[6-[[(1R,2R,3S,5S)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(4-fluoropyrazol-1-yl)phenol
CID 175847623
2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 137092427

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol?
The IUPAC name of 2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol (CID 167369772) is 2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol.
What is the SMILES notation for 2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol?
The canonical SMILES for 2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol is C[C@@]12CN[C@@](C)(C1)[C@@H](F)[C@H]2Oc1ccc(-c2ccc(-n3cccn3)cc2O)nn1.
What is the InChIKey of 2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol?
The InChIKey is NWADWAHJIFUDRT-WOZUAGRISA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-20-11-21(2,23-12-20)18(22)19(20)29-17-7-6-15(25-26-17)14-5-4-13(10-16(14)28)27-9-3-8-24-27/h3-10,18-19,23,28H,11-12H2,1-2H3/t18-,19+,20-,21-/m0/s1.
What are the key properties of 2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol?
2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol has a molecular weight of 395.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol is sourced from PubChem (CID 167369772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).