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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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).