1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one

C24H17F3N2O4 — CID 46194855

IUPAC1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one
SMILESO=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C12COc1cc3c(cc12)OCOC3
InChIInChI=1S/C24H17F3N2O4/c25-24(26,27)15-5-3-7-28-18(15)10-29-19-6-2-1-4-16(19)23(22(29)30)12-32-21-8-14-11-31-13-33-20(14)9-17(21)23/h1-9H,10-13H2
InChIKeyGAXCBEUTBLMRBB-UHFFFAOYSA-N
MW454.40 g/mol
LogP4.19
Rot. Bonds2

About 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one

1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one (PubChem CID 46194855) has the molecular formula C24H17F3N2O4 and a molecular weight of 454.40 g/mol. Its IUPAC name is 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one
PubChem CID46194855
Molecular FormulaC24H17F3N2O4
Molecular Weight454.40 g/mol
Exact Mass454.11
IUPAC Name1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one
SMILESO=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C12COc1cc3c(cc12)OCOC3
InChIInChI=1S/C24H17F3N2O4/c25-24(26,27)15-5-3-7-28-18(15)10-29-19-6-2-1-4-16(19)23(22(29)30)12-32-21-8-14-11-31-13-33-20(14)9-17(21)23/h1-9H,10-13H2
InChIKeyGAXCBEUTBLMRBB-UHFFFAOYSA-N
XLogP4.19
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-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 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one (CID 46194855) is 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one is O=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C12COc1cc3c(cc12)OCOC3.
What is the InChIKey of 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is GAXCBEUTBLMRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O4/c25-24(26,27)15-5-3-7-28-18(15)10-29-19-6-2-1-4-16(19)23(22(29)30)12-32-21-8-14-11-31-13-33-20(14)9-17(21)23/h1-9H,10-13H2.
What are the key properties of 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one?
1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 454.40 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 46194855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).