2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol

C24H24FN5O2 — CID 168845758

IUPAC2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1-c1cc2c(nn1)C([C@H]1C[C@H]3CCC[C@H](N3)[C@H]1F)=CCO2
InChIInChI=1S/C24H24FN5O2/c25-23-18(10-14-2-1-3-19(23)27-14)16-6-9-32-22-12-20(28-29-24(16)22)17-5-4-15(11-21(17)31)30-8-7-26-13-30/h4-8,11-14,18-19,23,27,31H,1-3,9-10H2/t14-,18-,19+,23+/m1/s1
InChIKeyIFAVSOVIBKWQNK-HHYGYBFDSA-N
MW433.49 g/mol
LogP3.68
Rot. Bonds3

About 2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol

2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol (PubChem CID 168845758) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol
PubChem CID168845758
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1-c1cc2c(nn1)C([C@H]1C[C@H]3CCC[C@H](N3)[C@H]1F)=CCO2
InChIInChI=1S/C24H24FN5O2/c25-23-18(10-14-2-1-3-19(23)27-14)16-6-9-32-22-12-20(28-29-24(16)22)17-5-4-15(11-21(17)31)30-8-7-26-13-30/h4-8,11-14,18-19,23,27,31H,1-3,9-10H2/t14-,18-,19+,23+/m1/s1
InChIKeyIFAVSOVIBKWQNK-HHYGYBFDSA-N
XLogP3.68
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol (CID 168845758) is 2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol is Oc1cc(-n2ccnc2)ccc1-c1cc2c(nn1)C([C@H]1C[C@H]3CCC[C@H](N3)[C@H]1F)=CCO2.
What is the InChIKey of 2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The InChIKey is IFAVSOVIBKWQNK-HHYGYBFDSA-N. The full InChI is InChI=1S/C24H24FN5O2/c25-23-18(10-14-2-1-3-19(23)27-14)16-6-9-32-22-12-20(28-29-24(16)22)17-5-4-15(11-21(17)31)30-8-7-26-13-30/h4-8,11-14,18-19,23,27,31H,1-3,9-10H2/t14-,18-,19+,23+/m1/s1.
What are the key properties of 2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol?
2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol has a molecular weight of 433.49 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 168845758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).