[4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C23H20F3N3O2 — CID 71083545

IUPAC[4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(-c3cccc(O)c3)cn2)CC1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)20-7-2-1-6-19(20)22(31)29-12-10-28(11-13-29)21-9-8-17(15-27-21)16-4-3-5-18(30)14-16/h1-9,14-15,30H,10-13H2
InChIKeyLUMSOVXKMZJSDV-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.44
Rot. Bonds3

About [4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 71083545) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is [4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID71083545
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name[4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(-c3cccc(O)c3)cn2)CC1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)20-7-2-1-6-19(20)22(31)29-12-10-28(11-13-29)21-9-8-17(15-27-21)16-4-3-5-18(30)14-16/h1-9,14-15,30H,10-13H2
InChIKeyLUMSOVXKMZJSDV-UHFFFAOYSA-N
XLogP4.44
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,8-Dihydroxy-2-(4-(2-pyridinyl)-1-piperazinyl)naphthoquinone
CID 376947
(4-Pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone
CID 15951399
(3-Tert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 46914575
1-(2-Hydroxy-phenyl)-6-(4-pyridin-2-yl-piperazin-1-yl)-hexan-1-one
CID 11131952
6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one
CID 164610297
(3-Hydroxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 4398653
1-[4-[(4-Fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122654150
(3-Phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3256126
4-fluoro-N-[2-[3-[(3-hydroxyphenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 44528168
N-(6-{4-[(2-Hydroxyphenyl)methyl]piperazin-1-YL}pyridin-3-YL)-2-(trifluoromethyl)benzamide
CID 46053738
4-fluoro-N-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]-3-hydroxy-N-methylbenzamide
CID 145951985
[4-[5-Amino-6-(4-hydroxyphenyl)pyrazin-2-yl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
CID 136207308

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 71083545) is [4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(-c3cccc(O)c3)cn2)CC1.
What is the InChIKey of [4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is LUMSOVXKMZJSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)20-7-2-1-6-19(20)22(31)29-12-10-28(11-13-29)21-9-8-17(15-27-21)16-4-3-5-18(30)14-16/h1-9,14-15,30H,10-13H2.
What are the key properties of [4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 427.43 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 71083545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).