[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid

C21H23F3N2O5S — CID 155846514

About [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid

[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155846514) has the molecular formula C21H23F3N2O5S and a molecular weight of 472.49 g/mol. Its IUPAC name is [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155846514
• Molecular Formula: C21H23F3N2O5S
• Molecular Weight: 472.49 g/mol
• Exact Mass: 472.13
• IUPAC Name: [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1cccc(COC2CCOC3(C2)CN(C(=O)c2ccsc2)C3)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H22N2O3S.C2HF3O2/c1-14-3-2-4-16(20-14)10-23-17-5-7-24-19(9-17)12-21(13-19)18(22)15-6-8-25-11-15;3-2(4,5)1(6)7/h2-4,6,8,11,17H,5,7,9-10,12-13H2,1H3;(H,6,7)
• InChIKey: FVKSBRTZFIMSON-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 88.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.49
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid (CID 155846514) is [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid is Cc1cccc(COC2CCOC3(C2)CN(C(=O)c2ccsc2)C3)n1.O=C(O)C(F)(F)F.

What is the InChIKey of [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid?

The InChIKey is FVKSBRTZFIMSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S.C2HF3O2/c1-14-3-2-4-16(20-14)10-23-17-5-7-24-19(9-17)12-21(13-19)18(22)15-6-8-25-11-15;3-2(4,5)1(6)7/h2-4,6,8,11,17H,5,7,9-10,12-13H2,1H3;(H,6,7).

What are the key properties of [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid?

[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 472.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155846514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).