1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

C23H18F3N3O3 — CID 59352470

IUPAC1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESCn1cc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)c(C(F)(F)F)n1
InChIInChI=1S/C23H18F3N3O3/c1-28-10-14(20(27-28)23(24,25)26)11-29-17-5-3-2-4-15(17)22(21(29)30)12-32-19-9-18-13(6-7-31-18)8-16(19)22/h2-5,8-10H,6-7,11-12H2,1H3
InChIKeyIWMIITFUVCAVID-UHFFFAOYSA-N
MW441.41 g/mol
LogP3.60
Rot. Bonds2

About 1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (PubChem CID 59352470) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is 1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
PubChem CID59352470
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC Name1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESCn1cc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)c(C(F)(F)F)n1
InChIInChI=1S/C23H18F3N3O3/c1-28-10-14(20(27-28)23(24,25)26)11-29-17-5-3-2-4-15(17)22(21(29)30)12-32-19-9-18-13(6-7-31-18)8-16(19)22/h2-5,8-10H,6-7,11-12H2,1H3
InChIKeyIWMIITFUVCAVID-UHFFFAOYSA-N
XLogP3.60
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (CID 59352470) is 1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is Cn1cc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)c(C(F)(F)F)n1.
What is the InChIKey of 1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The InChIKey is IWMIITFUVCAVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c1-28-10-14(20(27-28)23(24,25)26)11-29-17-5-3-2-4-15(17)22(21(29)30)12-32-19-9-18-13(6-7-31-18)8-16(19)22/h2-5,8-10H,6-7,11-12H2,1H3.
What are the key properties of 1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one has a molecular weight of 441.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).