5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one

C21H15F3N2O4 — CID 25065529

IUPAC5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
SMILESCOc1cc2c(cn1)OCC21C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21
InChIInChI=1S/C21H15F3N2O4/c1-28-18-8-14-16(9-25-18)29-11-20(14)13-4-2-3-5-15(13)26(19(20)27)10-12-6-7-17(30-12)21(22,23)24/h2-9H,10-11H2,1H3
InChIKeyUAGKOSVYQYDDOQ-UHFFFAOYSA-N
MW416.36 g/mol
LogP3.93
Rot. Bonds3

About 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one

5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one (PubChem CID 25065529) has the molecular formula C21H15F3N2O4 and a molecular weight of 416.36 g/mol. Its IUPAC name is 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one.

Molecular Properties

Compound Name5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
PubChem CID25065529
Molecular FormulaC21H15F3N2O4
Molecular Weight416.36 g/mol
Exact Mass416.10
IUPAC Name5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
SMILESCOc1cc2c(cn1)OCC21C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21
InChIInChI=1S/C21H15F3N2O4/c1-28-18-8-14-16(9-25-18)29-11-20(14)13-4-2-3-5-15(13)26(19(20)27)10-12-6-7-17(30-12)21(22,23)24/h2-9H,10-11H2,1H3
InChIKeyUAGKOSVYQYDDOQ-UHFFFAOYSA-N
XLogP3.93
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one?
The IUPAC name of 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one (CID 25065529) is 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one.
What is the SMILES notation for 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one?
The canonical SMILES for 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one is COc1cc2c(cn1)OCC21C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21.
What is the InChIKey of 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one?
The InChIKey is UAGKOSVYQYDDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O4/c1-28-18-8-14-16(9-25-18)29-11-20(14)13-4-2-3-5-15(13)26(19(20)27)10-12-6-7-17(30-12)21(22,23)24/h2-9H,10-11H2,1H3.
What are the key properties of 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one?
5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one has a molecular weight of 416.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one is sourced from PubChem (CID 25065529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).