6-ethyl-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

C32H25FN4O6S — CID 135955119

IUPAC6-ethyl-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
SMILESCCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3F)c2s1
InChIInChI=1S/C32H25FN4O6S/c1-3-22-15-25-29(39)36(17-27(38)18-10-12-21(42-2)13-11-18)32(41)37(30(25)44-22)16-20-9-8-19(14-26(20)33)23-6-4-5-7-24(23)28-34-31(40)43-35-28/h4-15H,3,16-17H2,1-2H3,(H,34,35,40)
InChIKeyGXQLVOMQUIUSHT-UHFFFAOYSA-N
MW612.64 g/mol
LogP4.88
Rot. Bonds9

About 6-ethyl-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

6-ethyl-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 (PubChem CID 135955119) has the molecular formula C32H25FN4O6S and a molecular weight of 612.64 g/mol. Its IUPAC name is 6-ethyl-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.

Molecular Properties

Compound Name6-ethyl-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
PubChem CID135955119
Molecular FormulaC32H25FN4O6S
Molecular Weight612.64 g/mol
Exact Mass612.15
IUPAC Name6-ethyl-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
SMILESCCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3F)c2s1
InChIInChI=1S/C32H25FN4O6S/c1-3-22-15-25-29(39)36(17-27(38)18-10-12-21(42-2)13-11-18)32(41)37(30(25)44-22)16-20-9-8-19(14-26(20)33)23-6-4-5-7-24(23)28-34-31(40)43-35-28/h4-15H,3,16-17H2,1-2H3,(H,34,35,40)
InChIKeyGXQLVOMQUIUSHT-UHFFFAOYSA-N
XLogP4.88
TPSA129.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.64
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-ethyl-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 with MolForge

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Launch Full Analysis

Related Compounds

6-cyclopropyl-1-{[3-fluoro-2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-3-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 135876075
6-ethyl-3-[2-(4-methoxy-2-methylphenyl)-2-oxoethyl]-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 136052364
6-ethyl-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 135876074
6-cyclopropyl-3-[2-(4-fluoro-2-methoxyphenyl)-2-oxoethyl]-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 136052246
6-ethyl-1-{[3-methoxy-2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-3-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 136052253
1-{[3,5-difluoro-2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-3-[2-(2-methoxyphenyl)-2-oxoethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 136052255
6-ethyl-1-{[3-fluoro-2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-3-(4-isopropoxyphenyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 136052258
6-cyclopropyl-3-[2-(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
CID 136052259
2-[6-ethyl-1-{[3-fluoro-2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl]-1-(4-methoxyphenyl)ethyl acetate
CID 136052277
6-cyclopropyl-3-[2-(2-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
CID 136052281
6-cyclopropyl-1-[[2,6-difluoro-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 136052291
3-[(2E)-2-ethoxyimino-2-(4-methoxyphenyl)ethyl]-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 136052298

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-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?
The IUPAC name of 6-ethyl-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 135955119) is 6-ethyl-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.
What is the SMILES notation for 6-ethyl-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?
The canonical SMILES for 6-ethyl-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 is CCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3F)c2s1.
What is the InChIKey of 6-ethyl-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?
The InChIKey is GXQLVOMQUIUSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25FN4O6S/c1-3-22-15-25-29(39)36(17-27(38)18-10-12-21(42-2)13-11-18)32(41)37(30(25)44-22)16-20-9-8-19(14-26(20)33)23-6-4-5-7-24(23)28-34-31(40)43-35-28/h4-15H,3,16-17H2,1-2H3,(H,34,35,40).
What are the key properties of 6-ethyl-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?
6-ethyl-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 has a molecular weight of 612.64 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-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 is sourced from PubChem (CID 135955119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).