(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone

C17H24F2N4O — CID 98896563

About (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone

(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone (PubChem CID 98896563) has the molecular formula C17H24F2N4O and a molecular weight of 338.40 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone.

Molecular Properties

• Compound Name: (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
• PubChem CID: 98896563
• Molecular Formula: C17H24F2N4O
• Molecular Weight: 338.40 g/mol
• Exact Mass: 338.19
• IUPAC Name: (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
• SMILES: Cn1nccc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1
• InChI: InChI=1S/C17H24F2N4O/c1-21-13(4-7-20-21)9-22-8-6-16(10-22)5-2-3-14(16)15(24)23-11-17(18,19)12-23/h4,7,14H,2-3,5-6,8-12H2,1H3/t14-,16-/m0/s1
• InChIKey: JCAQDNJUMOMQEV-HOCLYGCPSA-N
• XLogP: 1.89
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.40
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone?

The IUPAC name of (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone (CID 98896563) is (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone.

What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone?

The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone is Cn1nccc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1.

What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone?

The InChIKey is JCAQDNJUMOMQEV-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H24F2N4O/c1-21-13(4-7-20-21)9-22-8-6-16(10-22)5-2-3-14(16)15(24)23-11-17(18,19)12-23/h4,7,14H,2-3,5-6,8-12H2,1H3/t14-,16-/m0/s1.

What are the key properties of (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone?

(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone has a molecular weight of 338.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone is sourced from PubChem (CID 98896563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).