5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one

C20H14F4N2O5 — CID 68709196

IUPAC5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
SMILESCOc1ccc(O)c(C2(O)C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccc(F)cc32)n1
InChIInChI=1S/C20H14F4N2O5/c1-30-16-7-5-14(27)17(25-16)19(29)12-8-10(21)2-4-13(12)26(18(19)28)9-11-3-6-15(31-11)20(22,23)24/h2-8,27,29H,9H2,1H3
InChIKeyCCICSJPXIJJKJJ-UHFFFAOYSA-N
MW438.33 g/mol
LogP3.33
Rot. Bonds4

About 5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one

5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one (PubChem CID 68709196) has the molecular formula C20H14F4N2O5 and a molecular weight of 438.33 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
PubChem CID68709196
Molecular FormulaC20H14F4N2O5
Molecular Weight438.33 g/mol
Exact Mass438.08
IUPAC Name5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
SMILESCOc1ccc(O)c(C2(O)C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccc(F)cc32)n1
InChIInChI=1S/C20H14F4N2O5/c1-30-16-7-5-14(27)17(25-16)19(29)12-8-10(21)2-4-13(12)26(18(19)28)9-11-3-6-15(31-11)20(22,23)24/h2-8,27,29H,9H2,1H3
InChIKeyCCICSJPXIJJKJJ-UHFFFAOYSA-N
XLogP3.33
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-[4-[[5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2-methylindol-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]phenol
CID 11641582
1,1,1,3,3,3-Hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol
CID 21082193
1'-{[5-(trifluoromethyl)-2-furyl]methyl}spiro[1,3-dioxolo[4,5-b]furo[2,3-e]pyridine-5,3'-indol]-2'(1'H)-one
CID 24768598
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-hydroxy-3-[2-methoxy-5-(methoxymethoxy)pyridin-4-yl]-1-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68705432
3-(5-Hydroxy-2-methoxypyridin-4-yl)-3-(hydroxymethyl)-1-((5-(trifluoromethyl)furan-2-yl)methyl)indolin-2-one
CID 68706079
3-(5-hydroxy-2-methoxypyridin-4-yl)-1-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68706624

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one (CID 68709196) is 5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one is COc1ccc(O)c(C2(O)C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccc(F)cc32)n1.
What is the InChIKey of 5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one?
The InChIKey is CCICSJPXIJJKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O5/c1-30-16-7-5-14(27)17(25-16)19(29)12-8-10(21)2-4-13(12)26(18(19)28)9-11-3-6-15(31-11)20(22,23)24/h2-8,27,29H,9H2,1H3.
What are the key properties of 5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one?
5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one has a molecular weight of 438.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one is sourced from PubChem (CID 68709196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).