8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione

C25H23F2N5O2 — CID 167669825

About 8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione

8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione (PubChem CID 167669825) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

• Compound Name: 8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione
• PubChem CID: 167669825
• Molecular Formula: C25H23F2N5O2
• Molecular Weight: 463.49 g/mol
• Exact Mass: 463.18
• IUPAC Name: 8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione
• SMILES: Cc1cnc(N2CC(=O)N(Cc3ccc(F)cc3)C3(CN(c4ccc(F)cn4)C3)C2=O)c(C)c1
• InChI: InChI=1S/C25H23F2N5O2/c1-16-9-17(2)23(29-10-16)31-13-22(33)32(12-18-3-5-19(26)6-4-18)25(24(31)34)14-30(15-25)21-8-7-20(27)11-28-21/h3-11H,12-15H2,1-2H3
• InChIKey: TXXVFKAVMQYDGJ-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.49
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione?

The IUPAC name of 8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione (CID 167669825) is 8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione.

What is the SMILES notation for 8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione?

The canonical SMILES for 8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione is Cc1cnc(N2CC(=O)N(Cc3ccc(F)cc3)C3(CN(c4ccc(F)cn4)C3)C2=O)c(C)c1.

What is the InChIKey of 8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione?

The InChIKey is TXXVFKAVMQYDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-16-9-17(2)23(29-10-16)31-13-22(33)32(12-18-3-5-19(26)6-4-18)25(24(31)34)14-30(15-25)21-8-7-20(27)11-28-21/h3-11H,12-15H2,1-2H3.

What are the key properties of 8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione?

8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione has a molecular weight of 463.49 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 167669825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).