(5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid

C22H25F3N2O6 — CID 155851374

About (5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid

(5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155851374) has the molecular formula C22H25F3N2O6 and a molecular weight of 470.44 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155851374
• Molecular Formula: C22H25F3N2O6
• Molecular Weight: 470.44 g/mol
• Exact Mass: 470.17
• IUPAC Name: (5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1cccc(COC2CCOC3(C2)CN(C(=O)c2ccc(C)o2)C3)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H24N2O4.C2HF3O2/c1-14-4-3-5-16(21-14)11-24-17-8-9-25-20(10-17)12-22(13-20)19(23)18-7-6-15(2)26-18;3-2(4,5)1(6)7/h3-7,17H,8-13H2,1-2H3;(H,6,7)
• InChIKey: YOPMFMLCXVQJTM-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 102.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.44
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of (5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid (CID 155851374) is (5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for (5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid is Cc1cccc(COC2CCOC3(C2)CN(C(=O)c2ccc(C)o2)C3)n1.O=C(O)C(F)(F)F.

What is the InChIKey of (5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is YOPMFMLCXVQJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4.C2HF3O2/c1-14-4-3-5-16(21-14)11-24-17-8-9-25-20(10-17)12-22(13-20)19(23)18-7-6-15(2)26-18;3-2(4,5)1(6)7/h3-7,17H,8-13H2,1-2H3;(H,6,7).

What are the key properties of (5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid?

(5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 470.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methylfuran-2-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155851374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).