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

C21H15F3N2O4 — CID 25064916

IUPAC5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
SMILESCOc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21
InChIInChI=1S/C21H15F3N2O4/c1-28-17-9-7-15-18(25-17)20(11-29-15)13-4-2-3-5-14(13)26(19(20)27)10-12-6-8-16(30-12)21(22,23)24/h2-9H,10-11H2,1H3
InChIKeyKFNVAIUTZXCDKO-UHFFFAOYSA-N
MW416.36 g/mol
LogP3.93
Rot. Bonds3

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

5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one (PubChem CID 25064916) 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[3,2-b]pyridine-3,3'-indole]-2'-one.

Molecular Properties

Compound Name5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
PubChem CID25064916
Molecular FormulaC21H15F3N2O4
Molecular Weight416.36 g/mol
Exact Mass416.10
IUPAC Name5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
SMILESCOc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21
InChIInChI=1S/C21H15F3N2O4/c1-28-17-9-7-15-18(25-17)20(11-29-15)13-4-2-3-5-14(13)26(19(20)27)10-12-6-8-16(30-12)21(22,23)24/h2-9H,10-11H2,1H3
InChIKeyKFNVAIUTZXCDKO-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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Related Compounds

N-[2-[2-(4-fluorophenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
CID 127042442
5-methoxyspiro[furo[3,2-b]pyridine-3,3'-indol]-2'(1'H)-one
CID 25065121
5-methoxy-1'-(pyridin-2-ylmethyl)spiro[furo[3,2-b]pyridine-3,3'-indol]-2'(1'H)-one
CID 25065329
5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
CID 25065529
5-methoxy-1'-[(2R)-tetrahydrofuran-2-ylmethyl]spiro[furo[2,3-c]pyridine-3,3'-indol]-2'(1'H)-one
CID 67461417
5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
CID 68710093
1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
CID 76316660
5-methoxy-1'-[[3-(trifluoromethyl)pyridin-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
CID 46833288
3-[2-(1,3-Benzoxazol-2-yl)-2,2-difluoroethyl]-1,3-dimethylindol-2-one
CID 153522210
Indolin-1-yl(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 16906961
3-{2-[3-(1,3-Benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl}-3-(3-fluorophenyl)-1-methyl-2,5-pyrrolidinedione
CID 45185087
3-{2-[3-(1,3-Benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl}-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-pyrrolidinedione
CID 45202971

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The IUPAC name of 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one (CID 25064916) is 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one.
What is the SMILES notation for 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The canonical SMILES for 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one is COc1ccc2c(n1)C1(CO2)C(=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[3,2-b]pyridine-3,3'-indole]-2'-one?
The InChIKey is KFNVAIUTZXCDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O4/c1-28-17-9-7-15-18(25-17)20(11-29-15)13-4-2-3-5-14(13)26(19(20)27)10-12-6-8-16(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[3,2-b]pyridine-3,3'-indole]-2'-one?
5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]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[3,2-b]pyridine-3,3'-indole]-2'-one is sourced from PubChem (CID 25064916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).