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

C25H23F3N4O2 — CID 90842098

IUPAC5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2ccc(N3CCN(c4ccncc4)CC3)cc2cn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H23F3N4O2/c26-25(27,28)34-22-4-1-18(2-5-22)16-32-17-19-15-21(3-6-23(19)24(32)33)31-13-11-30(12-14-31)20-7-9-29-10-8-20/h1-10,15,17,33H,11-14,16H2
InChIKeyCIJZWCVAKBFNKO-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.02
Rot. Bonds5

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

5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90842098) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is 5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90842098
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2ccc(N3CCN(c4ccncc4)CC3)cc2cn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H23F3N4O2/c26-25(27,28)34-22-4-1-18(2-5-22)16-32-17-19-15-21(3-6-23(19)24(32)33)31-13-11-30(12-14-31)20-7-9-29-10-8-20/h1-10,15,17,33H,11-14,16H2
InChIKeyCIJZWCVAKBFNKO-UHFFFAOYSA-N
XLogP5.02
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[(1-Ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90686906
2-[[4-(4-Fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol
CID 90700030
7-Methyl-5-nitro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90704649
7-Methyl-5-[(pyridin-3-ylmethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90705666
5-Morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90710305
7-Methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90714114
7-Methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90724446
7-Methyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90729078
2-[(1R)-4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-(3,4-dimethoxyphenyl)butyl]-4-(4-ethylpiperazin-1-yl)isoindol-1-ol
CID 90747758
5-(2-Fluoro-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90755250
2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methylamino]butyl]-4-(4-ethylpiperazin-1-yl)isoindol-1-ol
CID 90758694
7-Methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90770150

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90842098) is 5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is Oc1c2ccc(N3CCN(c4ccncc4)CC3)cc2cn1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is CIJZWCVAKBFNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c26-25(27,28)34-22-4-1-18(2-5-22)16-32-17-19-15-21(3-6-23(19)24(32)33)31-13-11-30(12-14-31)20-7-9-29-10-8-20/h1-10,15,17,33H,11-14,16H2.
What are the key properties of 5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 468.48 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90842098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).