1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one

C21H13F3N2O5 — CID 24768598

IUPAC1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1cc3c(nc12)OCO3
InChIInChI=1S/C21H13F3N2O5/c22-21(23,24)16-6-5-11(31-16)8-26-13-4-2-1-3-12(13)20(19(26)27)9-28-14-7-15-18(25-17(14)20)30-10-29-15/h1-7H,8-10H2
InChIKeyKTHNAZDYAWQVFY-UHFFFAOYSA-N
MW430.34 g/mol
LogP3.65
Rot. Bonds2

About 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one

1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one (PubChem CID 24768598) has the molecular formula C21H13F3N2O5 and a molecular weight of 430.34 g/mol. Its IUPAC name is 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one
PubChem CID24768598
Molecular FormulaC21H13F3N2O5
Molecular Weight430.34 g/mol
Exact Mass430.08
IUPAC Name1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1cc3c(nc12)OCO3
InChIInChI=1S/C21H13F3N2O5/c22-21(23,24)16-6-5-11(31-16)8-26-13-4-2-1-3-12(13)20(19(26)27)9-28-14-7-15-18(25-17(14)20)30-10-29-15/h1-7H,8-10H2
InChIKeyKTHNAZDYAWQVFY-UHFFFAOYSA-N
XLogP3.65
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one with MolForge

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Related Compounds

5-methoxy-1'((5-(trifluoromethyl)furan-2-yl)methyl)-2H-spiro[furo[3,2-b]pyridine-3,3'-indolin]-2'-one
CID 25064916
5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
CID 25065529
1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
CID 76316660
4'-bromo-5-methoxy-1'-{[5-(trifluoromethyl)-2-furyl]methyl}spiro[furo[3,2-b]pyridine-3,3'-indol]-2'(1'H)-one
CID 25064915
4'-(3-furyl)-5-methoxy-1'-{[5-(trifluoromethyl)-2-furyl]methyl}spiro[furo[3,2-b]pyridine-3,3'-indol]-2'(1'H)-one
CID 25064917
5-methoxy-1'-{[5-(trifluoromethyl)-2-furyl]methyl}spiro[furo[3,2-b]pyridine-3,3'-indol]-2'(1'H)-one 4-oxide
CID 25064919
5'-fluoro-5-methoxy-1'-{[5-(trifluoromethyl)-2-furyl]methyl}spiro[furo[3,2-b]pyridine-3,3'-indol]-2'(1'H)-one
CID 25065118
4'-chloro-5-methoxy-1'-{[5-(trifluoromethyl)-2-furyl]methyl}spiro[furo[3,2-b]pyridine-3,3'-indol]-2'(1'H)-one
CID 25065119
3-(6-hydroxy[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-{[5-(trifluoromethyl)-2-furyl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68707355
3-(6-hydroxy[1,3]dioxolo[4,5-b]pyridin-5-yl)-3-(hydroxymethyl)-1-{[5-(trifluoromethyl)-2-furyl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68708521
5-fluoro-3-(3-hydroxy-6-methoxypyridin-2-yl)-1-{[5-(trifluoromethyl)-2-furyl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68708836
5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxypyridin-2-yl)-1-{[5-(trifluoromethyl)-2-furyl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68709196

Frequently Asked Questions

What is the IUPAC name of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one?
The IUPAC name of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one (CID 24768598) is 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one?
The canonical SMILES for 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one is O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1cc3c(nc12)OCO3.
What is the InChIKey of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one?
The InChIKey is KTHNAZDYAWQVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O5/c22-21(23,24)16-6-5-11(31-16)8-26-13-4-2-1-3-12(13)20(19(26)27)9-28-14-7-15-18(25-17(14)20)30-10-29-15/h1-7H,8-10H2.
What are the key properties of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one?
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one has a molecular weight of 430.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-indole]-2'-one is sourced from PubChem (CID 24768598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).