7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C23H28FN3O2 — CID 45224935

About 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45224935) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 45224935
• Molecular Formula: C23H28FN3O2
• Molecular Weight: 397.49 g/mol
• Exact Mass: 397.22
• IUPAC Name: 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• SMILES: COc1ccc(F)c(CN2CCCC3(CCN(Cc4cccc(C)n4)C3)C2=O)c1
• InChI: InChI=1S/C23H28FN3O2/c1-17-5-3-6-19(25-17)15-26-12-10-23(16-26)9-4-11-27(22(23)28)14-18-13-20(29-2)7-8-21(18)24/h3,5-8,13H,4,9-12,14-16H2,1-2H3
• InChIKey: AYHUBPCJBPFKSV-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.49
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45224935) is 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is COc1ccc(F)c(CN2CCCC3(CCN(Cc4cccc(C)n4)C3)C2=O)c1.

What is the InChIKey of 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is AYHUBPCJBPFKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17-5-3-6-19(25-17)15-26-12-10-23(16-26)9-4-11-27(22(23)28)14-18-13-20(29-2)7-8-21(18)24/h3,5-8,13H,4,9-12,14-16H2,1-2H3.

What are the key properties of 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 397.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45224935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).