7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

C23H25ClF3N3O3 — CID 90938748

IUPAC7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCOCCN1CCN(c2cc(Cl)c3c(O)n(Cc4ccc(OC(F)(F)F)cc4)cc3c2)CC1
InChIInChI=1S/C23H25ClF3N3O3/c1-32-11-10-28-6-8-29(9-7-28)18-12-17-15-30(22(31)21(17)20(24)13-18)14-16-2-4-19(5-3-16)33-23(25,26)27/h2-5,12-13,15,31H,6-11,14H2,1H3
InChIKeyITLDZORPYPFXOJ-UHFFFAOYSA-N
MW483.92 g/mol
LogP4.72
Rot. Bonds7

About 7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90938748) has the molecular formula C23H25ClF3N3O3 and a molecular weight of 483.92 g/mol. Its IUPAC name is 7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90938748
Molecular FormulaC23H25ClF3N3O3
Molecular Weight483.92 g/mol
Exact Mass483.15
IUPAC Name7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCOCCN1CCN(c2cc(Cl)c3c(O)n(Cc4ccc(OC(F)(F)F)cc4)cc3c2)CC1
InChIInChI=1S/C23H25ClF3N3O3/c1-32-11-10-28-6-8-29(9-7-28)18-12-17-15-30(22(31)21(17)20(24)13-18)14-16-2-4-19(5-3-16)33-23(25,26)27/h2-5,12-13,15,31H,6-11,14H2,1H3
InChIKeyITLDZORPYPFXOJ-UHFFFAOYSA-N
XLogP4.72
TPSA50.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.92
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol with MolForge

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Related Compounds

[1-[(2-Chlorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967091
[1-[(2-Chlorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-6-(trifluoromethoxy)indol-2-yl]methanol
CID 118971371
[1-[(3-Chlorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967103
5-Morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90710305
2-[4-[7-Chloro-1-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-5-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 90715265
7-Methyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90729078
7-Chloro-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90754498
7-Chloro-6-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90762498
5-(1,3,4,6,7,8,9,9a-Octahydropyrido[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90771213
5-(4-Propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90778566
5,7-Dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90781008
4-[[4-[[7-Chloro-1-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 90795045

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90938748) is 7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is COCCN1CCN(c2cc(Cl)c3c(O)n(Cc4ccc(OC(F)(F)F)cc4)cc3c2)CC1.
What is the InChIKey of 7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is ITLDZORPYPFXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF3N3O3/c1-32-11-10-28-6-8-29(9-7-28)18-12-17-15-30(22(31)21(17)20(24)13-18)14-16-2-4-19(5-3-16)33-23(25,26)27/h2-5,12-13,15,31H,6-11,14H2,1H3.
What are the key properties of 7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 483.92 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90938748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).