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

C25H19F3N2O5 — CID 59352491

IUPAC1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(OCc3ncccc3C(F)(F)F)cccc21
InChIInChI=1S/C25H19F3N2O5/c1-30-17-5-2-6-18(34-12-16-14(25(26,27)28)4-3-7-29-16)22(17)24(23(30)31)13-35-19-11-21-20(10-15(19)24)32-8-9-33-21/h2-7,10-11H,8-9,12-13H2,1H3
InChIKeyYUCXRAWXAKXTMS-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.11
Rot. Bonds3

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

1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 59352491) has the molecular formula C25H19F3N2O5 and a molecular weight of 484.43 g/mol. Its IUPAC name is 1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID59352491
Molecular FormulaC25H19F3N2O5
Molecular Weight484.43 g/mol
Exact Mass484.12
IUPAC Name1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(OCc3ncccc3C(F)(F)F)cccc21
InChIInChI=1S/C25H19F3N2O5/c1-30-17-5-2-6-18(34-12-16-14(25(26,27)28)4-3-7-29-16)22(17)24(23(30)31)13-35-19-11-21-20(10-15(19)24)32-8-9-33-21/h2-7,10-11H,8-9,12-13H2,1H3
InChIKeyYUCXRAWXAKXTMS-UHFFFAOYSA-N
XLogP4.11
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 59352491) is 1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for 1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(OCc3ncccc3C(F)(F)F)cccc21.
What is the InChIKey of 1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is YUCXRAWXAKXTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O5/c1-30-17-5-2-6-18(34-12-16-14(25(26,27)28)4-3-7-29-16)22(17)24(23(30)31)13-35-19-11-21-20(10-15(19)24)32-8-9-33-21/h2-7,10-11H,8-9,12-13H2,1H3.
What are the key properties of 1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 484.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-4'-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 59352491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).