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

C26H24F3N5O3 — CID 25221440

IUPAC2-[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
SMILESCc1cn(-c2ccc(C3=NC4(CCCOC4)N(CC(=O)Nc4cccc(C(F)(F)F)c4)C3=O)cc2)cn1
InChIInChI=1S/C26H24F3N5O3/c1-17-13-33(16-30-17)21-8-6-18(7-9-21)23-24(36)34(25(32-23)10-3-11-37-15-25)14-22(35)31-20-5-2-4-19(12-20)26(27,28)29/h2,4-9,12-13,16H,3,10-11,14-15H2,1H3,(H,31,35)
InChIKeyXVMQDIFRQVXWMU-UHFFFAOYSA-N
MW511.50 g/mol
LogP3.98
Rot. Bonds5

About 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

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 (PubChem CID 25221440) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID25221440
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC Name2-[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
SMILESCc1cn(-c2ccc(C3=NC4(CCCOC4)N(CC(=O)Nc4cccc(C(F)(F)F)c4)C3=O)cc2)cn1
InChIInChI=1S/C26H24F3N5O3/c1-17-13-33(16-30-17)21-8-6-18(7-9-21)23-24(36)34(25(32-23)10-3-11-37-15-25)14-22(35)31-20-5-2-4-19(12-20)26(27,28)29/h2,4-9,12-13,16H,3,10-11,14-15H2,1H3,(H,31,35)
InChIKeyXVMQDIFRQVXWMU-UHFFFAOYSA-N
XLogP3.98
TPSA88.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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-(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-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25221551
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
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
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
N-tert-butyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24995853
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
2-[3-(3-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53029402
2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25221093

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn(-c2ccc(C3=NC4(CCCOC4)N(CC(=O)Nc4cccc(C(F)(F)F)c4)C3=O)cc2)cn1.
What is the InChIKey of 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?
The InChIKey is XVMQDIFRQVXWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-17-13-33(16-30-17)21-8-6-18(7-9-21)23-24(36)34(25(32-23)10-3-11-37-15-25)14-22(35)31-20-5-2-4-19(12-20)26(27,28)29/h2,4-9,12-13,16H,3,10-11,14-15H2,1H3,(H,31,35).
What are the key properties of 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?
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 has a molecular weight of 511.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25221440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).