1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one

C21H15F3N6O — CID 161194344

IUPAC1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one
SMILESO=C(Cc1ccc(-c2ncccn2)cn1)Cn1cnc(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H15F3N6O/c22-21(23,24)19-8-14(4-7-25-19)18-12-30(13-29-18)11-17(31)9-16-3-2-15(10-28-16)20-26-5-1-6-27-20/h1-8,10,12-13H,9,11H2
InChIKeyUUDLWGALFMJGDF-UHFFFAOYSA-N
MW424.39 g/mol
LogP3.63
Rot. Bonds6

About 1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one

1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one (PubChem CID 161194344) has the molecular formula C21H15F3N6O and a molecular weight of 424.39 g/mol. Its IUPAC name is 1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one
PubChem CID161194344
Molecular FormulaC21H15F3N6O
Molecular Weight424.39 g/mol
Exact Mass424.13
IUPAC Name1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one
SMILESO=C(Cc1ccc(-c2ncccn2)cn1)Cn1cnc(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H15F3N6O/c22-21(23,24)19-8-14(4-7-25-19)18-12-30(13-29-18)11-17(31)9-16-3-2-15(10-28-16)20-26-5-1-6-27-20/h1-8,10,12-13H,9,11H2
InChIKeyUUDLWGALFMJGDF-UHFFFAOYSA-N
XLogP3.63
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one
CID 160540813
1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
CID 157487452
N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
CID 167075223
N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine
CID 141442757
N-pyridin-2-yl-2-[5-[2-(trifluoromethyl)-4-pyridinyl]thiophen-2-yl]acetamide
CID 145058964
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
CID 140555411
1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole
CID 141422409
[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride
CID 140555410
1-[2,5-dimethyl-4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[2-methyl-4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-methyl-4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
CID 159619002
1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one
CID 169284627
methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate
CID 86591825

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one?
The IUPAC name of 1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one (CID 161194344) is 1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one.
What is the SMILES notation for 1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one?
The canonical SMILES for 1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one is O=C(Cc1ccc(-c2ncccn2)cn1)Cn1cnc(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one?
The InChIKey is UUDLWGALFMJGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O/c22-21(23,24)19-8-14(4-7-25-19)18-12-30(13-29-18)11-17(31)9-16-3-2-15(10-28-16)20-26-5-1-6-27-20/h1-8,10,12-13H,9,11H2.
What are the key properties of 1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one?
1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one has a molecular weight of 424.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one is sourced from PubChem (CID 161194344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).