7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)

C24H27F6N3O5 — CID 118745624

About 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)

7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745624) has the molecular formula C24H27F6N3O5 and a molecular weight of 551.48 g/mol. Its IUPAC name is 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118745624
• Molecular Formula: C24H27F6N3O5
• Molecular Weight: 551.48 g/mol
• Exact Mass: 551.19
• IUPAC Name: 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1cccc(CN2CCC3(CC2)CC(Oc2cccnc2)C3)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H25N3O.2C2HF3O2/c1-16-4-2-5-17(22-16)15-23-10-7-20(8-11-23)12-19(13-20)24-18-6-3-9-21-14-18;2*3-2(4,5)1(6)7/h2-6,9,14,19H,7-8,10-13,15H2,1H3;2*(H,6,7)
• InChIKey: UNKKCFRIJFHVKB-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 112.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.48
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid) (CID 118745624) is 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid) is Cc1cccc(CN2CCC3(CC2)CC(Oc2cccnc2)C3)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is UNKKCFRIJFHVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2C2HF3O2/c1-16-4-2-5-17(22-16)15-23-10-7-20(8-11-23)12-19(13-20)24-18-6-3-9-21-14-18;2*3-2(4,5)1(6)7/h2-6,9,14,19H,7-8,10-13,15H2,1H3;2*(H,6,7).

What are the key properties of 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)?

7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 551.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).