2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol

C21H23FN6O — CID 167369846

About 2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol

2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol (PubChem CID 167369846) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol.

Molecular Properties

• Compound Name: 2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
• PubChem CID: 167369846
• Molecular Formula: C21H23FN6O
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.19
• IUPAC Name: 2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
• SMILES: CN1CC2CC1[C@H](F)[C@H]2N(C)c1ccc(-c2ccc(-n3ccnc3)cc2O)nn1
• InChI: InChI=1S/C21H23FN6O/c1-26-11-13-9-17(26)20(22)21(13)27(2)19-6-5-16(24-25-19)15-4-3-14(10-18(15)29)28-8-7-23-12-28/h3-8,10,12-13,17,20-21,29H,9,11H2,1-2H3/t13?,17?,20-,21-/m0/s1
• InChIKey: MPIKOJAHHMBJTF-UOASQOEZSA-N
• XLogP: 2.51
• TPSA: 70.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol?

The IUPAC name of 2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol (CID 167369846) is 2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol.

What is the SMILES notation for 2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol?

The canonical SMILES for 2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol is CN1CC2CC1[C@H](F)[C@H]2N(C)c1ccc(-c2ccc(-n3ccnc3)cc2O)nn1.

What is the InChIKey of 2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol?

The InChIKey is MPIKOJAHHMBJTF-UOASQOEZSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-26-11-13-9-17(26)20(22)21(13)27(2)19-6-5-16(24-25-19)15-4-3-14(10-18(15)29)28-8-7-23-12-28/h3-8,10,12-13,17,20-21,29H,9,11H2,1-2H3/t13?,17?,20-,21-/m0/s1.

What are the key properties of 2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol?

2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol has a molecular weight of 394.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 167369846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).