7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid

C19H18F3N3O5 — CID 155850204

About 7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid

7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid (PubChem CID 155850204) has the molecular formula C19H18F3N3O5 and a molecular weight of 425.36 g/mol. Its IUPAC name is 7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
• PubChem CID: 155850204
• Molecular Formula: C19H18F3N3O5
• Molecular Weight: 425.36 g/mol
• Exact Mass: 425.12
• IUPAC Name: 7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C(c1ccco1)N1CCC2(CC(=O)N(c3ccccn3)C2)C1
• InChI: InChI=1S/C17H17N3O3.C2HF3O2/c21-15-10-17(12-20(15)14-5-1-2-7-18-14)6-8-19(11-17)16(22)13-4-3-9-23-13;3-2(4,5)1(6)7/h1-5,7,9H,6,8,10-12H2;(H,6,7)
• InChIKey: SUOZVMGJKOXWJA-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 103.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.36
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid?

The IUPAC name of 7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid (CID 155850204) is 7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid?

The canonical SMILES for 7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1ccco1)N1CCC2(CC(=O)N(c3ccccn3)C2)C1.

What is the InChIKey of 7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid?

The InChIKey is SUOZVMGJKOXWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3.C2HF3O2/c21-15-10-17(12-20(15)14-5-1-2-7-18-14)6-8-19(11-17)16(22)13-4-3-9-23-13;3-2(4,5)1(6)7/h1-5,7,9H,6,8,10-12H2;(H,6,7).

What are the key properties of 7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid?

7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 425.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).