3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one

C20H25N5O2 — CID 72852355

About 3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one

3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one (PubChem CID 72852355) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
• PubChem CID: 72852355
• Molecular Formula: C20H25N5O2
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.20
• IUPAC Name: 3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
• SMILES: Cc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2
• InChI: InChI=1S/C20H25N5O2/c1-15-21-9-11-23(15)10-7-19(26)25-13-16-5-6-17(25)14-24(12-16)20(27)18-4-2-3-8-22-18/h2-4,8-9,11,16-17H,5-7,10,12-14H2,1H3/t16-,17+/m0/s1
• InChIKey: FOQNNQDNVUSHOD-DLBZAZTESA-N
• XLogP: 1.74
• TPSA: 71.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one?

The IUPAC name of 3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one (CID 72852355) is 3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one.

What is the SMILES notation for 3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one?

The canonical SMILES for 3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one is Cc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2.

What is the InChIKey of 3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one?

The InChIKey is FOQNNQDNVUSHOD-DLBZAZTESA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15-21-9-11-23(15)10-7-19(26)25-13-16-5-6-17(25)14-24(12-16)20(27)18-4-2-3-8-22-18/h2-4,8-9,11,16-17H,5-7,10,12-14H2,1H3/t16-,17+/m0/s1.

What are the key properties of 3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one?

3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one has a molecular weight of 367.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one is sourced from PubChem (CID 72852355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).