5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one

C21H23F2N3O2 — CID 25446669

About 5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one

5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one (PubChem CID 25446669) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one
• PubChem CID: 25446669
• Molecular Formula: C21H23F2N3O2
• Molecular Weight: 387.43 g/mol
• Exact Mass: 387.18
• IUPAC Name: 5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one
• SMILES: O=C(c1ccc(=O)[nH]c1)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1
• InChI: InChI=1S/C21H23F2N3O2/c22-17-4-1-3-16(19(17)23)12-25-9-2-7-21(13-25)8-10-26(14-21)20(28)15-5-6-18(27)24-11-15/h1,3-6,11H,2,7-10,12-14H2,(H,24,27)/t21-/m0/s1
• InChIKey: ZKDLASVEOYKFDW-NRFANRHFSA-N
• XLogP: 2.78
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.43
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one (CID 25446669) is 5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1.

What is the InChIKey of 5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one?

The InChIKey is ZKDLASVEOYKFDW-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c22-17-4-1-3-16(19(17)23)12-25-9-2-7-21(13-25)8-10-26(14-21)20(28)15-5-6-18(27)24-11-15/h1,3-6,11H,2,7-10,12-14H2,(H,24,27)/t21-/m0/s1.

What are the key properties of 5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one?

5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one has a molecular weight of 387.43 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 25446669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).