(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C21H27FN4O2 — CID 26394459

About (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 26394459) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 26394459
• Molecular Formula: C21H27FN4O2
• Molecular Weight: 386.47 g/mol
• Exact Mass: 386.21
• IUPAC Name: (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• SMILES: COc1ccc(F)c(CN2CCC[C@@]3(CCN(Cc4nccn4C)C3)C2=O)c1
• InChI: InChI=1S/C21H27FN4O2/c1-24-11-8-23-19(24)14-25-10-7-21(15-25)6-3-9-26(20(21)27)13-16-12-17(28-2)4-5-18(16)22/h4-5,8,11-12H,3,6-7,9-10,13-15H2,1-2H3/t21-/m0/s1
• InChIKey: GAGUULWFRLSIRL-NRFANRHFSA-N
• XLogP: 2.58
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.47
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 26394459) is (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is COc1ccc(F)c(CN2CCC[C@@]3(CCN(Cc4nccn4C)C3)C2=O)c1.

What is the InChIKey of (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is GAGUULWFRLSIRL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-24-11-8-23-19(24)14-25-10-7-21(15-25)6-3-9-26(20(21)27)13-16-12-17(28-2)4-5-18(16)22/h4-5,8,11-12H,3,6-7,9-10,13-15H2,1-2H3/t21-/m0/s1.

What are the key properties of (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 386.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 26394459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).