(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

C21H27FN4O — CID 70727283

About (3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (PubChem CID 70727283) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is (3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.

Molecular Properties

• Compound Name: (3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
• PubChem CID: 70727283
• Molecular Formula: C21H27FN4O
• Molecular Weight: 370.47 g/mol
• Exact Mass: 370.22
• IUPAC Name: (3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
• SMILES: CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1nc3ccc(C)cn3c1F)C2
• InChI: InChI=1S/C21H27FN4O/c1-14(2)8-9-24-11-16-5-6-17(24)13-25(12-16)21(27)19-20(22)26-10-15(3)4-7-18(26)23-19/h4,7-8,10,16-17H,5-6,9,11-13H2,1-3H3/t16-,17-/m1/s1
• InChIKey: RBYXKVLSLIWDLO-IAGOWNOFSA-N
• XLogP: 3.28
• TPSA: 40.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.47
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?

The IUPAC name of (3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (CID 70727283) is (3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.

What is the SMILES notation for (3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?

The canonical SMILES for (3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1nc3ccc(C)cn3c1F)C2.

What is the InChIKey of (3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?

The InChIKey is RBYXKVLSLIWDLO-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-14(2)8-9-24-11-16-5-6-17(24)13-25(12-16)21(27)19-20(22)26-10-15(3)4-7-18(26)23-19/h4,7-8,10,16-17H,5-6,9,11-13H2,1-3H3/t16-,17-/m1/s1.

What are the key properties of (3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?

(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone has a molecular weight of 370.47 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is sourced from PubChem (CID 70727283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).