7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C22H25F2N3O — CID 45235909

About 7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45235909) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is 7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 45235909
• Molecular Formula: C22H25F2N3O
• Molecular Weight: 385.46 g/mol
• Exact Mass: 385.20
• IUPAC Name: 7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• SMILES: Cc1cccc(CN2CCC3(CCCN(Cc4ccc(F)c(F)c4)C3=O)C2)n1
• InChI: InChI=1S/C22H25F2N3O/c1-16-4-2-5-18(25-16)14-26-11-9-22(15-26)8-3-10-27(21(22)28)13-17-6-7-19(23)20(24)12-17/h2,4-7,12H,3,8-11,13-15H2,1H3
• InChIKey: CXDKDYRYEZIQHX-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.46
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45235909) is 7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1cccc(CN2CCC3(CCCN(Cc4ccc(F)c(F)c4)C3=O)C2)n1.

What is the InChIKey of 7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is CXDKDYRYEZIQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-16-4-2-5-18(25-16)14-26-11-9-22(15-26)8-3-10-27(21(22)28)13-17-6-7-19(23)20(24)12-17/h2,4-7,12H,3,8-11,13-15H2,1H3.

What are the key properties of 7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 385.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45235909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).