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

C23H19F3N2O3 — CID 90690987

IUPAC7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCc1cc(OCc2ccncc2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C23H19F3N2O3/c1-15-10-20(30-14-17-6-8-27-9-7-17)11-18-13-28(22(29)21(15)18)12-16-2-4-19(5-3-16)31-23(24,25)26/h2-11,13,29H,12,14H2,1H3
InChIKeyHQJVEHQCMHWEOZ-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.58
Rot. Bonds6

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

7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90690987) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90690987
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCc1cc(OCc2ccncc2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C23H19F3N2O3/c1-15-10-20(30-14-17-6-8-27-9-7-17)11-18-13-28(22(29)21(15)18)12-16-2-4-19(5-3-16)31-23(24,25)26/h2-11,13,29H,12,14H2,1H3
InChIKeyHQJVEHQCMHWEOZ-UHFFFAOYSA-N
XLogP5.58
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-5-(pyridin-4-ylmethoxy)-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

US9714221, Example 154
CID 130232819
US9714221, Example 153
CID 137194225
US9714221, Example 108
CID 130232786
US11149031, Example 252
CID 134520906
US11149031, Example 237
CID 134520953
US11149031, Example 249
CID 134521099
US11149031, Example 241
CID 134521125
US9714221, Example 109
CID 137194219
(4-Propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56665873
[3-(6-Methoxypyridin-3-yl)-5-(trifluoromethoxy)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
CID 118967132
US9714221, Example 34
CID 130232351
US9714221, Example 87
CID 130232376

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90690987) is 7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is Cc1cc(OCc2ccncc2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12.
What is the InChIKey of 7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is HQJVEHQCMHWEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-15-10-20(30-14-17-6-8-27-9-7-17)11-18-13-28(22(29)21(15)18)12-16-2-4-19(5-3-16)31-23(24,25)26/h2-11,13,29H,12,14H2,1H3.
What are the key properties of 7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 428.41 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90690987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).