3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile

C24H14F4N4O2 — CID 141237196

IUPAC3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
SMILESN#Cc1cc(C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C24H14F4N4O2/c25-20-13-18(31-7-2-1-3-23(31)34)5-4-16(20)12-21(33)17-9-15(14-29)10-19(11-17)32-8-6-22(30-32)24(26,27)28/h1-11,13H,12H2
InChIKeyDGZYPETYJHDNPS-UHFFFAOYSA-N
MW466.39 g/mol
LogP4.48
Rot. Bonds5

About 3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile

3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile (PubChem CID 141237196) has the molecular formula C24H14F4N4O2 and a molecular weight of 466.39 g/mol. Its IUPAC name is 3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
PubChem CID141237196
Molecular FormulaC24H14F4N4O2
Molecular Weight466.39 g/mol
Exact Mass466.11
IUPAC Name3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
SMILESN#Cc1cc(C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C24H14F4N4O2/c25-20-13-18(31-7-2-1-3-23(31)34)5-4-16(20)12-21(33)17-9-15(14-29)10-19(11-17)32-8-6-22(30-32)24(26,27)28/h1-11,13H,12H2
InChIKeyDGZYPETYJHDNPS-UHFFFAOYSA-N
XLogP4.48
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 122536350
3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole
CID 79194874
N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 56585394
1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 54050324
N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71969427
1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
CID 66016332
4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one
CID 145437201
4-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]butanoic acid
CID 175308580
4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid
CID 119357520
dimethyl 6-amino-5-cyano-1-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644235
7-phenyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]-1,4-diazepan-5-one
CID 86839937
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119608640

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile?
The IUPAC name of 3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile (CID 141237196) is 3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile?
The canonical SMILES for 3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile is N#Cc1cc(C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of 3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile?
The InChIKey is DGZYPETYJHDNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F4N4O2/c25-20-13-18(31-7-2-1-3-23(31)34)5-4-16(20)12-21(33)17-9-15(14-29)10-19(11-17)32-8-6-22(30-32)24(26,27)28/h1-11,13H,12H2.
What are the key properties of 3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile?
3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile has a molecular weight of 466.39 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 141237196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).