potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride

C32H26FKN4O6S — CID 173078790

IUPACpotassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride
SMILESCCc1cc2c(=O)n(CC(=O)c3ccc(F)c(OC)c3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c2s1.[H-].[K+]
InChIInChI=1S/C32H25FN4O6S.K.H/c1-3-21-15-24-29(39)36(17-26(38)20-12-13-25(33)27(14-20)42-2)32(41)37(30(24)44-21)16-18-8-10-19(11-9-18)22-6-4-5-7-23(22)28-34-31(40)43-35-28;;/h4-15H,3,16-17H2,1-2H3,(H,34,35,40);;/q;+1;-1
InChIKeyVXXBZXNLKXMIIM-UHFFFAOYSA-N
MW652.75 g/mol
LogP1.99
Rot. Bonds9

About potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride

potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride (PubChem CID 173078790) has the molecular formula C32H26FKN4O6S and a molecular weight of 652.75 g/mol. Its IUPAC name is potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride.

Molecular Properties

Compound Namepotassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride
PubChem CID173078790
Molecular FormulaC32H26FKN4O6S
Molecular Weight652.75 g/mol
Exact Mass652.12
IUPAC Namepotassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride
SMILESCCc1cc2c(=O)n(CC(=O)c3ccc(F)c(OC)c3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c2s1.[H-].[K+]
InChIInChI=1S/C32H25FN4O6S.K.H/c1-3-21-15-24-29(39)36(17-26(38)20-12-13-25(33)27(14-20)42-2)32(41)37(30(24)44-21)16-18-8-10-19(11-9-18)22-6-4-5-7-23(22)28-34-31(40)43-35-28;;/h4-15H,3,16-17H2,1-2H3,(H,34,35,40);;/q;+1;-1
InChIKeyVXXBZXNLKXMIIM-UHFFFAOYSA-N
XLogP1.99
TPSA129.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.75
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride with MolForge

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Related Compounds

2-[4-[[3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6-ethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]methyl]phenyl]benzonitrile
CID 59351828
3-(3,3-dimethyl-2-methylidenebutyl)-6-ethyl-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 136631584
3-[2-[4-[[6-ethyl-3-[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]methyl]phenyl]phenyl]-1,2,4-oxadiazol-5-olate
CID 59351466
3-[2-[4-[[6-ethyl-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]methyl]phenyl]phenyl]-1,2,4-oxadiazol-5-olate;methane
CID 158154942
6-cyclopropyl-1-[[2-fluoro-4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 135876075
2-[4-[[6-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]methyl]-3-fluorophenyl]benzonitrile
CID 59351708
2-[4-[[6-ethyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]methyl]-3-fluorophenyl]benzonitrile
CID 59351491
2-[4-[[6-ethyl-3-[2-(1-methylbenzimidazol-2-yl)-2-oxoethyl]-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]methyl]phenyl]benzonitrile
CID 59351655
2-[4-[[3-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-6-ethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]methyl]phenyl]benzonitrile
CID 59351764
3-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135955631
2-[4-[[6-ethyl-3-[(4-hydroxyoxan-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]methyl]phenyl]benzonitrile
CID 59351461
2-butyl-5-chloro-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 135723840

Frequently Asked Questions

What is the IUPAC name of potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride?
The IUPAC name of potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride (CID 173078790) is potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride.
What is the SMILES notation for potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride?
The canonical SMILES for potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride is CCc1cc2c(=O)n(CC(=O)c3ccc(F)c(OC)c3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c2s1.[H-].[K+].
What is the InChIKey of potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride?
The InChIKey is VXXBZXNLKXMIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25FN4O6S.K.H/c1-3-21-15-24-29(39)36(17-26(38)20-12-13-25(33)27(14-20)42-2)32(41)37(30(24)44-21)16-18-8-10-19(11-9-18)22-6-4-5-7-23(22)28-34-31(40)43-35-28;;/h4-15H,3,16-17H2,1-2H3,(H,34,35,40);;/q;+1;-1.
What are the key properties of potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride?
potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride has a molecular weight of 652.75 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6-ethyl-3-[2-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione;hydride is sourced from PubChem (CID 173078790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).