3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one

C23H17F3N2O5 — CID 67357306

IUPAC3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
SMILESO=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C1(O)c1cc2c(cc1O)OCCO2
InChIInChI=1S/C23H17F3N2O5/c24-23(25,26)13-5-3-7-27-16(13)12-28-17-6-2-1-4-14(17)22(31,21(28)30)15-10-19-20(11-18(15)29)33-9-8-32-19/h1-7,10-11,29,31H,8-9,12H2
InChIKeyZSAXSEXLJJXEAF-UHFFFAOYSA-N
MW458.39 g/mol
LogP3.36
Rot. Bonds3

About 3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one

3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one (PubChem CID 67357306) has the molecular formula C23H17F3N2O5 and a molecular weight of 458.39 g/mol. Its IUPAC name is 3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
PubChem CID67357306
Molecular FormulaC23H17F3N2O5
Molecular Weight458.39 g/mol
Exact Mass458.11
IUPAC Name3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
SMILESO=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C1(O)c1cc2c(cc1O)OCCO2
InChIInChI=1S/C23H17F3N2O5/c24-23(25,26)13-5-3-7-27-16(13)12-28-17-6-2-1-4-14(17)22(31,21(28)30)15-10-19-20(11-18(15)29)33-9-8-32-19/h1-7,10-11,29,31H,8-9,12H2
InChIKeyZSAXSEXLJJXEAF-UHFFFAOYSA-N
XLogP3.36
TPSA92.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one?
The IUPAC name of 3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one (CID 67357306) is 3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one?
The canonical SMILES for 3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one is O=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C1(O)c1cc2c(cc1O)OCCO2.
What is the InChIKey of 3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one?
The InChIKey is ZSAXSEXLJJXEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O5/c24-23(25,26)13-5-3-7-27-16(13)12-28-17-6-2-1-4-14(17)22(31,21(28)30)15-10-19-20(11-18(15)29)33-9-8-32-19/h1-7,10-11,29,31H,8-9,12H2.
What are the key properties of 3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one?
3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one has a molecular weight of 458.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one is sourced from PubChem (CID 67357306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).