3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile

C23H15F4N5O — CID 147679261

IUPAC3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile
SMILESCN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2ccc(F)c(-c3cccc(C#N)c3)c2)N=C1N
InChIInChI=1S/C23H15F4N5O/c1-32-20(33)22(31-21(32)29,16-7-8-30-19(11-16)23(25,26)27)15-5-6-18(24)17(10-15)14-4-2-3-13(9-14)12-28/h2-11H,1H3,(H2,29,31)
InChIKeyGOUAFFXGTVGESL-UHFFFAOYSA-N
MW453.40 g/mol
LogP3.81
Rot. Bonds3

About 3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile

3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile (PubChem CID 147679261) has the molecular formula C23H15F4N5O and a molecular weight of 453.40 g/mol. Its IUPAC name is 3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile.

Molecular Properties

Compound Name3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile
PubChem CID147679261
Molecular FormulaC23H15F4N5O
Molecular Weight453.40 g/mol
Exact Mass453.12
IUPAC Name3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile
SMILESCN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2ccc(F)c(-c3cccc(C#N)c3)c2)N=C1N
InChIInChI=1S/C23H15F4N5O/c1-32-20(33)22(31-21(32)29,16-7-8-30-19(11-16)23(25,26)27)15-5-6-18(24)17(10-15)14-4-2-3-13(9-14)12-28/h2-11H,1H3,(H2,29,31)
InChIKeyGOUAFFXGTVGESL-UHFFFAOYSA-N
XLogP3.81
TPSA95.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile
CID 153495964
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 163906937
2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 153495952
(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 46830239
3-[3-[2-amino-4-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]benzonitrile
CID 146623015
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
CID 146844541
2-[3-[2-amino-1-methyl-5-oxo-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazol-4-yl]phenyl]pyridine-4-carbonitrile
CID 25118977
2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 146624658
1-[4-[2-amino-4-[3-(5-cyano-2-fluorophenyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-methoxyethanesulfonic acid
CID 87747819
2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 147941444
methyl 4-[2-amino-4-[3-(5-cyano-2-fluorophenyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carboxylate
CID 15949371
(5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 59834568

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile?
The IUPAC name of 3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile (CID 147679261) is 3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile.
What is the SMILES notation for 3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile?
The canonical SMILES for 3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile is CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2ccc(F)c(-c3cccc(C#N)c3)c2)N=C1N.
What is the InChIKey of 3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile?
The InChIKey is GOUAFFXGTVGESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N5O/c1-32-20(33)22(31-21(32)29,16-7-8-30-19(11-16)23(25,26)27)15-5-6-18(24)17(10-15)14-4-2-3-13(9-14)12-28/h2-11H,1H3,(H2,29,31).
What are the key properties of 3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile?
3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile has a molecular weight of 453.40 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile is sourced from PubChem (CID 147679261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).