(5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C22H29FN4O2 — CID 42520655

About (5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42520655) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is (5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 42520655
• Molecular Formula: C22H29FN4O2
• Molecular Weight: 400.50 g/mol
• Exact Mass: 400.23
• IUPAC Name: (5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• SMILES: COc1ccc(F)c(CN2CCC[C@]3(CCN(Cc4cnc(C)n4C)C3)C2=O)c1
• InChI: InChI=1S/C22H29FN4O2/c1-16-24-12-18(25(16)2)14-26-10-8-22(15-26)7-4-9-27(21(22)28)13-17-11-19(29-3)5-6-20(17)23/h5-6,11-12H,4,7-10,13-15H2,1-3H3/t22-/m1/s1
• InChIKey: JTSOFOPQPUJUQZ-JOCHJYFZSA-N
• XLogP: 2.89
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.50
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 42520655) is (5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is COc1ccc(F)c(CN2CCC[C@]3(CCN(Cc4cnc(C)n4C)C3)C2=O)c1.

What is the InChIKey of (5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is JTSOFOPQPUJUQZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-16-24-12-18(25(16)2)14-26-10-8-22(15-26)7-4-9-27(21(22)28)13-17-11-19(29-3)5-6-20(17)23/h5-6,11-12H,4,7-10,13-15H2,1-3H3/t22-/m1/s1.

What are the key properties of (5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

(5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 400.50 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42520655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).