2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol

C22H26N6O — CID 154598973

About 2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol

2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol (PubChem CID 154598973) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol.

Molecular Properties

• Compound Name: 2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol
• PubChem CID: 154598973
• Molecular Formula: C22H26N6O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.22
• IUPAC Name: 2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol
• SMILES: Cc1nccn1-c1ccc(-c2ccc(N(C)C3CC4CCC(C3)N4)nn2)c(O)c1
• InChI: InChI=1S/C22H26N6O/c1-14-23-9-10-28(14)17-5-6-19(21(29)13-17)20-7-8-22(26-25-20)27(2)18-11-15-3-4-16(12-18)24-15/h5-10,13,15-16,18,24,29H,3-4,11-12H2,1-2H3
• InChIKey: VIFXXWAMCPGQLU-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 79.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol?

The IUPAC name of 2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol (CID 154598973) is 2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol.

What is the SMILES notation for 2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol?

The canonical SMILES for 2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol is Cc1nccn1-c1ccc(-c2ccc(N(C)C3CC4CCC(C3)N4)nn2)c(O)c1.

What is the InChIKey of 2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol?

The InChIKey is VIFXXWAMCPGQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-14-23-9-10-28(14)17-5-6-19(21(29)13-17)20-7-8-22(26-25-20)27(2)18-11-15-3-4-16(12-18)24-15/h5-10,13,15-16,18,24,29H,3-4,11-12H2,1-2H3.

What are the key properties of 2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol?

2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol has a molecular weight of 390.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol is sourced from PubChem (CID 154598973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).