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

C24H17F3N2O5 — CID 67379590

IUPAC2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one
SMILESCC1COc2cc3c(cc2O1)C1(CO3)C(=O)Nc2cccc(Oc3ncccc3C(F)(F)F)c21
InChIInChI=1S/C24H17F3N2O5/c1-12-10-31-18-9-17-14(8-19(18)33-12)23(11-32-17)20-15(29-22(23)30)5-2-6-16(20)34-21-13(24(25,26)27)4-3-7-28-21/h2-9,12H,10-11H2,1H3,(H,29,30)
InChIKeyXHZWVDCRSBDCJB-UHFFFAOYSA-N
MW470.40 g/mol
LogP4.68
Rot. Bonds2

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

2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one (PubChem CID 67379590) has the molecular formula C24H17F3N2O5 and a molecular weight of 470.40 g/mol. Its IUPAC name is 2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one.

Molecular Properties

Compound Name2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one
PubChem CID67379590
Molecular FormulaC24H17F3N2O5
Molecular Weight470.40 g/mol
Exact Mass470.11
IUPAC Name2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one
SMILESCC1COc2cc3c(cc2O1)C1(CO3)C(=O)Nc2cccc(Oc3ncccc3C(F)(F)F)c21
InChIInChI=1S/C24H17F3N2O5/c1-12-10-31-18-9-17-14(8-19(18)33-12)23(11-32-17)20-15(29-22(23)30)5-2-6-16(20)34-21-13(24(25,26)27)4-3-7-28-21/h2-9,12H,10-11H2,1H3,(H,29,30)
InChIKeyXHZWVDCRSBDCJB-UHFFFAOYSA-N
XLogP4.68
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one?
The IUPAC name of 2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one (CID 67379590) is 2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one.
What is the SMILES notation for 2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one?
The canonical SMILES for 2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one is CC1COc2cc3c(cc2O1)C1(CO3)C(=O)Nc2cccc(Oc3ncccc3C(F)(F)F)c21.
What is the InChIKey of 2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one?
The InChIKey is XHZWVDCRSBDCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O5/c1-12-10-31-18-9-17-14(8-19(18)33-12)23(11-32-17)20-15(29-22(23)30)5-2-6-16(20)34-21-13(24(25,26)27)4-3-7-28-21/h2-9,12H,10-11H2,1H3,(H,29,30).
What are the key properties of 2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one?
2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one has a molecular weight of 470.40 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one is sourced from PubChem (CID 67379590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).