2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone

C24H21F3N2O3 — CID 156814900

IUPAC2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
SMILESO=C(CO)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C24H21F3N2O3/c25-24(26,27)18-7-9-23(28-13-18)32-19-10-11-29(14-19)21-8-6-17(12-20(21)22(31)15-30)16-4-2-1-3-5-16/h1-9,12-13,19,30H,10-11,14-15H2/t19-/m0/s1
InChIKeyGAEOOTYTJIXYML-IBGZPJMESA-N
MW442.44 g/mol
LogP4.60
Rot. Bonds6

About 2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone

2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone (PubChem CID 156814900) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
PubChem CID156814900
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
SMILESO=C(CO)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C24H21F3N2O3/c25-24(26,27)18-7-9-23(28-13-18)32-19-10-11-29(14-19)21-8-6-17(12-20(21)22(31)15-30)16-4-2-1-3-5-16/h1-9,12-13,19,30H,10-11,14-15H2/t19-/m0/s1
InChIKeyGAEOOTYTJIXYML-IBGZPJMESA-N
XLogP4.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone (CID 156814900) is 2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone is O=C(CO)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone?
The InChIKey is GAEOOTYTJIXYML-IBGZPJMESA-N. The full InChI is InChI=1S/C24H21F3N2O3/c25-24(26,27)18-7-9-23(28-13-18)32-19-10-11-29(14-19)21-8-6-17(12-20(21)22(31)15-30)16-4-2-1-3-5-16/h1-9,12-13,19,30H,10-11,14-15H2/t19-/m0/s1.
What are the key properties of 2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone?
2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone has a molecular weight of 442.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 156814900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).