2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C27H23F3N4O2 — CID 25221551

IUPAC2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)C(c2ccc(-c3ccccn3)cc2)=NC12CCCC2)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H23F3N4O2/c28-27(29,30)20-6-5-7-21(16-20)32-23(35)17-34-25(36)24(33-26(34)13-2-3-14-26)19-11-9-18(10-12-19)22-8-1-4-15-31-22/h1,4-12,15-16H,2-3,13-14,17H2,(H,32,35)
InChIKeyATZFCLLXEHTJTC-UHFFFAOYSA-N
MW492.50 g/mol
LogP5.31
Rot. Bonds5

About 2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 25221551) has the molecular formula C27H23F3N4O2 and a molecular weight of 492.50 g/mol. Its IUPAC name is 2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID25221551
Molecular FormulaC27H23F3N4O2
Molecular Weight492.50 g/mol
Exact Mass492.18
IUPAC Name2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)C(c2ccc(-c3ccccn3)cc2)=NC12CCCC2)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H23F3N4O2/c28-27(29,30)20-6-5-7-21(16-20)32-23(35)17-34-25(36)24(33-26(34)13-2-3-14-26)19-11-9-18(10-12-19)22-8-1-4-15-31-22/h1,4-12,15-16H,2-3,13-14,17H2,(H,32,35)
InChIKeyATZFCLLXEHTJTC-UHFFFAOYSA-N
XLogP5.31
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25221664
N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24746337
2-[2-[4-(4-methylimidazol-1-yl)phenyl]-3-oxo-9-oxa-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25221440
N-(2-fluoro-5-methylphenyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24743623
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide
CID 7184194
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
CID 161365092
N-[3-(1,1-difluoroethyl)phenyl]acetamide;formaldehyde;2-[4-(4-methylimidazol-1-yl)phenyl]-4-[[3-(trifluoromethyl)anilino]methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
CID 143776412
2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide
CID 24746654
2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
CID 160593756
2-[3-methylidene-2-[4-(4-methylimidazol-1-yl)phenyl]-9-oxa-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 70273902
4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
CID 24996506
N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
CID 2141006

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 25221551) is 2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)C(c2ccc(-c3ccccn3)cc2)=NC12CCCC2)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ATZFCLLXEHTJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O2/c28-27(29,30)20-6-5-7-21(16-20)32-23(35)17-34-25(36)24(33-26(34)13-2-3-14-26)19-11-9-18(10-12-19)22-8-1-4-15-31-22/h1,4-12,15-16H,2-3,13-14,17H2,(H,32,35).
What are the key properties of 2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 492.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25221551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).