(2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid

C21H23F3N2O6 — CID 155843658

About (2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid

(2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155843658) has the molecular formula C21H23F3N2O6 and a molecular weight of 456.42 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155843658
• Molecular Formula: C21H23F3N2O6
• Molecular Weight: 456.42 g/mol
• Exact Mass: 456.15
• IUPAC Name: (2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(C(=O)N2CC3(CC(Oc4cccnc4)CCO3)C2)c(C)o1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H22N2O4.C2HF3O2/c1-13-8-17(14(2)24-13)18(22)21-11-19(12-21)9-15(5-7-23-19)25-16-4-3-6-20-10-16;3-2(4,5)1(6)7/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3;(H,6,7)
• InChIKey: GGZRTNYZHOXMDN-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 102.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.42
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of (2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155843658) is (2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for (2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid is Cc1cc(C(=O)N2CC3(CC(Oc4cccnc4)CCO3)C2)c(C)o1.O=C(O)C(F)(F)F.

What is the InChIKey of (2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid?

The InChIKey is GGZRTNYZHOXMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.C2HF3O2/c1-13-8-17(14(2)24-13)18(22)21-11-19(12-21)9-15(5-7-23-19)25-16-4-3-6-20-10-16;3-2(4,5)1(6)7/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3;(H,6,7).

What are the key properties of (2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid?

(2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 456.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155843658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).