5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one

C23H19F3N2O3 — CID 67435089

IUPAC5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one
SMILESO=C1c2ccc(OCc3cnccc3-c3ccccc3)cc2CN1CCOC(F)(F)F
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)31-11-10-28-14-17-12-19(6-7-21(17)22(28)29)30-15-18-13-27-9-8-20(18)16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2
InChIKeyKAMBEFVJBXWKOC-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.82
Rot. Bonds7

About 5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one

5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one (PubChem CID 67435089) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one
PubChem CID67435089
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one
SMILESO=C1c2ccc(OCc3cnccc3-c3ccccc3)cc2CN1CCOC(F)(F)F
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)31-11-10-28-14-17-12-19(6-7-21(17)22(28)29)30-15-18-13-27-9-8-20(18)16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2
InChIKeyKAMBEFVJBXWKOC-UHFFFAOYSA-N
XLogP4.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-phenyl-1H-pyrazol-4-yl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one
CID 68722564
5-[(2,6-dimethyl-4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one
CID 53472126
2-butyl-5-[(2-chloro-4-phenyl-3-pyridinyl)methoxy]-3H-isoindol-1-one
CID 53472170
2-propyl-5-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methoxy]-3H-isoindol-1-one
CID 68722195
2-ethyl-5-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methoxy]-3H-isoindol-1-one
CID 68721768
2-(4,4,4-trifluorobutyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methoxy]-3H-isoindol-1-one
CID 87549497
3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine
CID 174448364
2-chloro-5-[3-[[1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]oxymethyl]phenyl]benzoic acid
CID 50994050
5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 22594208
2-butyl-6-[(5-phenyl-3-pyridinyl)oxy]-3H-isoindol-1-one;2,2,2-trifluoroacetic acid
CID 53475668
1-hydroxy-1-[2-[[1-oxo-2-(2-pyridin-3-yloxyethyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea
CID 18963973
2-chloro-5-[3-[[2-(3-methylbutyl)-1-oxo-3H-isoindol-5-yl]oxymethyl]phenyl]benzoic acid
CID 50994051

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one?
The IUPAC name of 5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one (CID 67435089) is 5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one?
The canonical SMILES for 5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one is O=C1c2ccc(OCc3cnccc3-c3ccccc3)cc2CN1CCOC(F)(F)F.
What is the InChIKey of 5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one?
The InChIKey is KAMBEFVJBXWKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c24-23(25,26)31-11-10-28-14-17-12-19(6-7-21(17)22(28)29)30-15-18-13-27-9-8-20(18)16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2.
What are the key properties of 5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one?
5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one has a molecular weight of 428.41 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenyl-3-pyridinyl)methoxy]-2-[2-(trifluoromethoxy)ethyl]-3H-isoindol-1-one is sourced from PubChem (CID 67435089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).