2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol

C24H22FN5O2 — CID 162372691

IUPAC2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol
SMILESOc1cc(-n2ncc3ccccc32)ccc1-c1ccc(O[C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2F)nn1
InChIInChI=1S/C24H22FN5O2/c25-24-19-8-5-15(27-19)11-22(24)32-23-10-9-18(28-29-23)17-7-6-16(12-21(17)31)30-20-4-2-1-3-14(20)13-26-30/h1-4,6-7,9-10,12-13,15,19,22,24,27,31H,5,8,11H2/t15-,19+,22-,24+/m0/s1
InChIKeyUGZMPYKMNGLLEQ-YWNZRQFQSA-N
MW431.47 g/mol
LogP3.80
Rot. Bonds4

About 2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol

2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol (PubChem CID 162372691) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol
PubChem CID162372691
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol
SMILESOc1cc(-n2ncc3ccccc32)ccc1-c1ccc(O[C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2F)nn1
InChIInChI=1S/C24H22FN5O2/c25-24-19-8-5-15(27-19)11-22(24)32-23-10-9-18(28-29-23)17-7-6-16(12-21(17)31)30-20-4-2-1-3-14(20)13-26-30/h1-4,6-7,9-10,12-13,15,19,22,24,27,31H,5,8,11H2/t15-,19+,22-,24+/m0/s1
InChIKeyUGZMPYKMNGLLEQ-YWNZRQFQSA-N
XLogP3.80
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol?
The IUPAC name of 2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol (CID 162372691) is 2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol.
What is the SMILES notation for 2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol?
The canonical SMILES for 2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol is Oc1cc(-n2ncc3ccccc32)ccc1-c1ccc(O[C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2F)nn1.
What is the InChIKey of 2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol?
The InChIKey is UGZMPYKMNGLLEQ-YWNZRQFQSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-24-19-8-5-15(27-19)11-22(24)32-23-10-9-18(28-29-23)17-7-6-16(12-21(17)31)30-20-4-2-1-3-14(20)13-26-30/h1-4,6-7,9-10,12-13,15,19,22,24,27,31H,5,8,11H2/t15-,19+,22-,24+/m0/s1.
What are the key properties of 2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol?
2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol has a molecular weight of 431.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-indazol-1-ylphenol is sourced from PubChem (CID 162372691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).