2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol

C25H24FN5O2 — CID 162372855

IUPAC2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol
SMILESOc1cc(-c2cnn3ccccc23)ccc1-c1ccc(O[C@@H]2C[C@H]3CCC[C@H](N3)[C@@H]2F)nn1
InChIInChI=1S/C25H24FN5O2/c26-25-20-5-3-4-16(28-20)13-23(25)33-24-10-9-19(29-30-24)17-8-7-15(12-22(17)32)18-14-27-31-11-2-1-6-21(18)31/h1-2,6-12,14,16,20,23,25,28,32H,3-5,13H2/t16-,20+,23-,25+/m1/s1
InChIKeyCHRVNEWGUADDRD-JAIPWSMFSA-N
MW445.50 g/mol
LogP4.16
Rot. Bonds4

About 2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol

2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol (PubChem CID 162372855) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol.

Molecular Properties

Compound Name2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol
PubChem CID162372855
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol
SMILESOc1cc(-c2cnn3ccccc23)ccc1-c1ccc(O[C@@H]2C[C@H]3CCC[C@H](N3)[C@@H]2F)nn1
InChIInChI=1S/C25H24FN5O2/c26-25-20-5-3-4-16(28-20)13-23(25)33-24-10-9-19(29-30-24)17-8-7-15(12-22(17)32)18-14-27-31-11-2-1-6-21(18)31/h1-2,6-12,14,16,20,23,25,28,32H,3-5,13H2/t16-,20+,23-,25+/m1/s1
InChIKeyCHRVNEWGUADDRD-JAIPWSMFSA-N
XLogP4.16
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol with MolForge

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Related Compounds

2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 167360647
2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162372760
2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 167360734
2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylpyrazin-2-yl)phenol
CID 162372853
2-[6-[[(1R,2R,3S,5S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methyl-3-pyridinyl)phenol
CID 162372777
2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(2-methyl-1,3-thiazol-5-yl)phenol
CID 167360694
2-[6-[[(2S,3R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(6-methylpyrazin-2-yl)phenol
CID 167360619
2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol
CID 167360712
2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(2-methyl-1,3-thiazol-4-yl)phenol
CID 162372829
2-[6-[[(1S,2R,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162372883
2-[6-[[(2S,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 167360526
2-[6-[[(1R,2S,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162372750

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol?
The IUPAC name of 2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol (CID 162372855) is 2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol.
What is the SMILES notation for 2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol?
The canonical SMILES for 2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol is Oc1cc(-c2cnn3ccccc23)ccc1-c1ccc(O[C@@H]2C[C@H]3CCC[C@H](N3)[C@@H]2F)nn1.
What is the InChIKey of 2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol?
The InChIKey is CHRVNEWGUADDRD-JAIPWSMFSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-25-20-5-3-4-16(28-20)13-23(25)33-24-10-9-19(29-30-24)17-8-7-15(12-22(17)32)18-14-27-31-11-2-1-6-21(18)31/h1-2,6-12,14,16,20,23,25,28,32H,3-5,13H2/t16-,20+,23-,25+/m1/s1.
What are the key properties of 2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol?
2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol has a molecular weight of 445.50 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-pyrazolo[1,5-a]pyridin-3-ylphenol is sourced from PubChem (CID 162372855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).