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

C24H20ClF2N5O2 — CID 146465038

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

8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione (PubChem CID 146465038) has the molecular formula C24H20ClF2N5O2 and a molecular weight of 483.91 g/mol. Its IUPAC name is 8-(5-chloro-3-methyl-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-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione
• PubChem CID: 146465038
• Molecular Formula: C24H20ClF2N5O2
• Molecular Weight: 483.91 g/mol
• Exact Mass: 483.13
• IUPAC Name: 8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione
• SMILES: Cc1cc(Cl)cnc1N1CC(=O)N(Cc2ccc(F)cc2)C2(CN(c3ccc(F)cn3)C2)C1=O
• InChI: InChI=1S/C24H20ClF2N5O2/c1-15-8-17(25)9-29-22(15)31-12-21(33)32(11-16-2-4-18(26)5-3-16)24(23(31)34)13-30(14-24)20-7-6-19(27)10-28-20/h2-10H,11-14H2,1H3
• InChIKey: OJCVOUWYIULWRV-UHFFFAOYSA-N
• XLogP: 3.35
• 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	483.91
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-3-methyl-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-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione (CID 146465038) is 8-(5-chloro-3-methyl-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-(5-chloro-3-methyl-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-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione is Cc1cc(Cl)cnc1N1CC(=O)N(Cc2ccc(F)cc2)C2(CN(c3ccc(F)cn3)C2)C1=O.

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

The InChIKey is OJCVOUWYIULWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O2/c1-15-8-17(25)9-29-22(15)31-12-21(33)32(11-16-2-4-18(26)5-3-16)24(23(31)34)13-30(14-24)20-7-6-19(27)10-28-20/h2-10H,11-14H2,1H3.

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

8-(5-chloro-3-methyl-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 483.91 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(5-chloro-3-methyl-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 146465038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).