7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol

C20H20FN5O2 — CID 162372791

About 7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol

7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol (PubChem CID 162372791) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol.

Molecular Properties

• Compound Name: 7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol
• PubChem CID: 162372791
• Molecular Formula: C20H20FN5O2
• Molecular Weight: 381.41 g/mol
• Exact Mass: 381.16
• IUPAC Name: 7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol
• SMILES: Oc1cc2nccnc2cc1-c1ccc(O[C@@H]2C[C@H]3CCC[C@H](N3)[C@@H]2F)nn1
• InChI: InChI=1S/C20H20FN5O2/c21-20-14-3-1-2-11(24-14)8-18(20)28-19-5-4-13(25-26-19)12-9-15-16(10-17(12)27)23-7-6-22-15/h4-7,9-11,14,18,20,24,27H,1-3,8H2/t11-,14+,18-,20+/m1/s1
• InChIKey: GWRUISFAUGCPMC-IIAQOFDSSA-N
• XLogP: 2.79
• TPSA: 93.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.41
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol?

The IUPAC name of 7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol (CID 162372791) is 7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol.

What is the SMILES notation for 7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol?

The canonical SMILES for 7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol is Oc1cc2nccnc2cc1-c1ccc(O[C@@H]2C[C@H]3CCC[C@H](N3)[C@@H]2F)nn1.

What is the InChIKey of 7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol?

The InChIKey is GWRUISFAUGCPMC-IIAQOFDSSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-20-14-3-1-2-11(24-14)8-18(20)28-19-5-4-13(25-26-19)12-9-15-16(10-17(12)27)23-7-6-22-15/h4-7,9-11,14,18,20,24,27H,1-3,8H2/t11-,14+,18-,20+/m1/s1.

What are the key properties of 7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol?

7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol has a molecular weight of 381.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]quinoxalin-6-ol is sourced from PubChem (CID 162372791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).