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

C23H26F3N3O2 — CID 91090330

IUPAC5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCCN1CCN(c2cc(C)c3c(O)n(Cc4ccc(OC(F)(F)F)cc4)cc3c2)CC1
InChIInChI=1S/C23H26F3N3O2/c1-3-27-8-10-28(11-9-27)19-12-16(2)21-18(13-19)15-29(22(21)30)14-17-4-6-20(7-5-17)31-23(24,25)26/h4-7,12-13,15,30H,3,8-11,14H2,1-2H3
InChIKeyQYYHLIXLSMVKSQ-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.74
Rot. Bonds5

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

5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 91090330) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID91090330
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCCN1CCN(c2cc(C)c3c(O)n(Cc4ccc(OC(F)(F)F)cc4)cc3c2)CC1
InChIInChI=1S/C23H26F3N3O2/c1-3-27-8-10-28(11-9-27)19-12-16(2)21-18(13-19)15-29(22(21)30)14-17-4-6-20(7-5-17)31-23(24,25)26/h4-7,12-13,15,30H,3,8-11,14H2,1-2H3
InChIKeyQYYHLIXLSMVKSQ-UHFFFAOYSA-N
XLogP4.74
TPSA40.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(Hydroxymethyl)-3-(6-methoxypyridin-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carbonitrile
CID 118714118
(1-(3-methoxybenzyl)-3-(6-methoxypyridin-3-yl)-5-(trifluoromethyl)-1H-indol-2-yl)methanol
CID 118953471
[3-(6-Methoxypyridin-3-yl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol
CID 140928469
(2S)-3-[1-[2-(diethylamino)ethyl]-5-[4-(4-fluorophenoxy)phenyl]indol-3-yl]propane-1,2-diol
CID 54767842
[3-(6-Methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
CID 118714103
[3-(6-Methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol
CID 118714106
5,9-Dimethyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]phenanthridin-5-ium chloride
CID 164616863
5,10-Dimethyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]phenanthridin-5-ium chloride
CID 164627067
3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine
CID 11681742
6-[(4-Methoxyphenyl)methyl]-5,11-bis(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole
CID 15240955
6-[(4-Methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole
CID 15240957
1-Benzyl-5-[4-(trifluoromethoxy)phenyl]-1H-indole
CID 22032903

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 91090330) is 5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is CCN1CCN(c2cc(C)c3c(O)n(Cc4ccc(OC(F)(F)F)cc4)cc3c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is QYYHLIXLSMVKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-3-27-8-10-28(11-9-27)19-12-16(2)21-18(13-19)15-29(22(21)30)14-17-4-6-20(7-5-17)31-23(24,25)26/h4-7,12-13,15,30H,3,8-11,14H2,1-2H3.
What are the key properties of 5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 433.47 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 91090330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).