4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid

C21H19F3N4O3 — CID 91341033

IUPAC4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3cc[nH]c(=O)c3)[nH]2)CC1
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)15-3-1-2-13(10-15)17-18(14-4-7-25-16(29)11-14)27-19(26-17)12-5-8-28(9-6-12)20(30)31/h1-4,7,10-12H,5-6,8-9H2,(H,25,29)(H,26,27)(H,30,31)
InChIKeyIYWOAXLDRUDLDL-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.31
Rot. Bonds3

About 4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid

4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 91341033) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid
PubChem CID91341033
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3cc[nH]c(=O)c3)[nH]2)CC1
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)15-3-1-2-13(10-15)17-18(14-4-7-25-16(29)11-14)27-19(26-17)12-5-8-28(9-6-12)20(30)31/h1-4,7,10-12H,5-6,8-9H2,(H,25,29)(H,26,27)(H,30,31)
InChIKeyIYWOAXLDRUDLDL-UHFFFAOYSA-N
XLogP4.31
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

1-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122074673
N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
CID 15840626
3-[3-(trifluoromethyl)phenyl]-2H-isoindole-1-carboxylic acid
CID 22764372
(E)-3-pyridin-2-yl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]prop-2-en-1-one
CID 42483570
4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 67357875
benzyl 4-[5-(2-fluoro-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxylate
CID 54080643
4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138387482
4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylic acid
CID 91402575
7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 67154905
1-benzyl-4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazine;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidine;ethane
CID 145233724
1H-pyrazol-5-yl-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810136
4-[3-(3-fluorophenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
CID 137025779

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid (CID 91341033) is 4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3cc[nH]c(=O)c3)[nH]2)CC1.
What is the InChIKey of 4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is IYWOAXLDRUDLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c22-21(23,24)15-3-1-2-13(10-15)17-18(14-4-7-25-16(29)11-14)27-19(26-17)12-5-8-28(9-6-12)20(30)31/h1-4,7,10-12H,5-6,8-9H2,(H,25,29)(H,26,27)(H,30,31).
What are the key properties of 4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 432.40 g/mol, XLogP of 4.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-oxo-1H-pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 91341033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).