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

C23H23F6N3O8 — CID 155827055

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

(2-methoxy-3-pyridinyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155827055) has the molecular formula C23H23F6N3O8 and a molecular weight of 583.44 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: (2-methoxy-3-pyridinyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155827055
• Molecular Formula: C23H23F6N3O8
• Molecular Weight: 583.44 g/mol
• Exact Mass: 583.14
• IUPAC Name: (2-methoxy-3-pyridinyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: COc1ncccc1C(=O)N1CC2(CC(Oc3ccccn3)CCO2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H21N3O4.2C2HF3O2/c1-24-17-15(5-4-9-21-17)18(23)22-12-19(13-22)11-14(7-10-25-19)26-16-6-2-3-8-20-16;2*3-2(4,5)1(6)7/h2-6,8-9,14H,7,10-13H2,1H3;2*(H,6,7)
• InChIKey: PKOIJGORLZFLSE-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 148.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.44
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2-methoxy-3-pyridinyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid) (CID 155827055) is (2-methoxy-3-pyridinyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for (2-methoxy-3-pyridinyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid) is COc1ncccc1C(=O)N1CC2(CC(Oc3ccccn3)CCO2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is PKOIJGORLZFLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4.2C2HF3O2/c1-24-17-15(5-4-9-21-17)18(23)22-12-19(13-22)11-14(7-10-25-19)26-16-6-2-3-8-20-16;2*3-2(4,5)1(6)7/h2-6,8-9,14H,7,10-13H2,1H3;2*(H,6,7).

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

(2-methoxy-3-pyridinyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 583.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxy-3-pyridinyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155827055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).