3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one

C20H15F3N2O4 — CID 68706624

IUPAC3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
SMILESCOc1cc(C2C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccccc32)c(O)cn1
InChIInChI=1S/C20H15F3N2O4/c1-28-17-8-13(15(26)9-24-17)18-12-4-2-3-5-14(12)25(19(18)27)10-11-6-7-16(29-11)20(21,22)23/h2-9,18,26H,10H2,1H3
InChIKeyOHYXFASEXSFVKM-UHFFFAOYSA-N
MW404.34 g/mol
LogP4.09
Rot. Bonds4

About 3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one

3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one (PubChem CID 68706624) has the molecular formula C20H15F3N2O4 and a molecular weight of 404.34 g/mol. Its IUPAC name is 3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
PubChem CID68706624
Molecular FormulaC20H15F3N2O4
Molecular Weight404.34 g/mol
Exact Mass404.10
IUPAC Name3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
SMILESCOc1cc(C2C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccccc32)c(O)cn1
InChIInChI=1S/C20H15F3N2O4/c1-28-17-8-13(15(26)9-24-17)18-12-4-2-3-5-14(12)25(19(18)27)10-11-6-7-16(29-11)20(21,22)23/h2-9,18,26H,10H2,1H3
InChIKeyOHYXFASEXSFVKM-UHFFFAOYSA-N
XLogP4.09
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-Furan-2-ylmethyl-3-hydroxy-4-(3-methoxy-benzoyl)-5-pyridin-4-yl-1,5-dihydro-pyrrol-2-one
CID 6398930
4-[(3-ethoxyphenyl)carbonyl]-1-(furan-2-ylmethyl)-3-hydroxy-5-(pyridin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 6398932
4-(3-fluoro-4-methylbenzoyl)-1-[(furan-2-yl)methyl]-3-hydroxy-5-(pyridin-4-yl)-2,5-dihydro-1H-pyrrol-2-one
CID 5170061
(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 6290280
4-(3-ethoxybenzoyl)-1-[(furan-2-yl)methyl]-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
CID 5768964
1-[(furan-2-yl)methyl]-3-hydroxy-4-(3-methoxybenzoyl)-5-(pyridin-4-yl)-2,5-dihydro-1H-pyrrol-2-one
CID 653763
4-(3-ethoxybenzoyl)-1-[(furan-2-yl)methyl]-3-hydroxy-5-(pyridin-4-yl)-2,5-dihydro-1H-pyrrol-2-one
CID 654185
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
(4S)-6-hydroxy-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]hexan-2-one
CID 58255206

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The IUPAC name of 3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one (CID 68706624) is 3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one.
What is the SMILES notation for 3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The canonical SMILES for 3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one is COc1cc(C2C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccccc32)c(O)cn1.
What is the InChIKey of 3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The InChIKey is OHYXFASEXSFVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O4/c1-28-17-8-13(15(26)9-24-17)18-12-4-2-3-5-14(12)25(19(18)27)10-11-6-7-16(29-11)20(21,22)23/h2-9,18,26H,10H2,1H3.
What are the key properties of 3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one has a molecular weight of 404.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-2-methoxy-4-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one is sourced from PubChem (CID 68706624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).