(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one

C22H26FN3O3 — CID 126433243

About (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 126433243) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 126433243
• Molecular Formula: C22H26FN3O3
• Molecular Weight: 399.47 g/mol
• Exact Mass: 399.20
• IUPAC Name: (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: COc1cccc(CN2CCC[C@]3(CCN(c4ncccc4F)C3)C2=O)c1OC
• InChI: InChI=1S/C22H26FN3O3/c1-28-18-8-3-6-16(19(18)29-2)14-25-12-5-9-22(21(25)27)10-13-26(15-22)20-17(23)7-4-11-24-20/h3-4,6-8,11H,5,9-10,12-15H2,1-2H3/t22-/m1/s1
• InChIKey: JZUQGHYRBILODO-JOCHJYFZSA-N
• XLogP: 3.26
• TPSA: 54.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.47
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one (CID 126433243) is (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one is COc1cccc(CN2CCC[C@]3(CCN(c4ncccc4F)C3)C2=O)c1OC.

What is the InChIKey of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is JZUQGHYRBILODO-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-28-18-8-3-6-16(19(18)29-2)14-25-12-5-9-22(21(25)27)10-13-26(15-22)20-17(23)7-4-11-24-20/h3-4,6-8,11H,5,9-10,12-15H2,1-2H3/t22-/m1/s1.

What are the key properties of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one?

(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 399.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 126433243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).