7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

C22H17F3N2O3 — CID 90911372

IUPAC7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCOc1cc(-c2ccncc2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C22H17F3N2O3/c1-29-19-11-16(15-6-8-26-9-7-15)10-17-13-27(21(28)20(17)19)12-14-2-4-18(5-3-14)30-22(23,24)25/h2-11,13,28H,12H2,1H3
InChIKeyVGDCEABOQHYRFW-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.36
Rot. Bonds5

About 7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90911372) has the molecular formula C22H17F3N2O3 and a molecular weight of 414.38 g/mol. Its IUPAC name is 7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90911372
Molecular FormulaC22H17F3N2O3
Molecular Weight414.38 g/mol
Exact Mass414.12
IUPAC Name7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCOc1cc(-c2ccncc2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C22H17F3N2O3/c1-29-19-11-16(15-6-8-26-9-7-15)10-17-13-27(21(28)20(17)19)12-14-2-4-18(5-3-14)30-22(23,24)25/h2-11,13,28H,12H2,1H3
InChIKeyVGDCEABOQHYRFW-UHFFFAOYSA-N
XLogP5.36
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol 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

6-(3-Hydroxyphenyl)-1-(6-methoxypyridin-3-yl)naphthalen-2-ol
CID 25069763
(1-(3-methoxybenzyl)-3-(6-methoxypyridin-3-yl)-5-(trifluoromethyl)-1H-indol-2-yl)methanol
CID 118953471
3-Methoxy-alpha-phenyl-alpha-(4-pyridyl)-2-naphthalenemethanol
CID 4220442
6-(4-Methoxy-3-pyridinyl)naphthalen-1-ol
CID 53325843
2-[2-(2-Methoxyphenyl)ethyl]isoquinolin-2-ium-7-ol chloride
CID 56662192
6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2H-benzo[f]isoindol-1-ol
CID 54194048
6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol
CID 54479502
1,1,1-Trifluoro-3-(2-methoxynaphthalen-1-yl)-2-pyridin-4-ylbutan-2-ol
CID 57421287
2-[1-[4-(2-Methoxy-5-methylphenyl)phenyl]-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]propan-2-ol
CID 68703498
1-Methoxy-4-(4-(trifluoromethyl)phenyl)isoquinolin-5-ol
CID 71375614
1-Methoxy-4-(3-(trifluoromethyl)phenyl)isoquinolin-5-ol
CID 71375615
5-[(1-Ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90686906

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90911372) is 7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is COc1cc(-c2ccncc2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12.
What is the InChIKey of 7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is VGDCEABOQHYRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3/c1-29-19-11-16(15-6-8-26-9-7-15)10-17-13-27(21(28)20(17)19)12-14-2-4-18(5-3-14)30-22(23,24)25/h2-11,13,28H,12H2,1H3.
What are the key properties of 7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 414.38 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90911372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).