2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide

C24H23FN4O4S — CID 137006896

About 2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide

2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide (PubChem CID 137006896) has the molecular formula C24H23FN4O4S and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide
• PubChem CID: 137006896
• Molecular Formula: C24H23FN4O4S
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.14
• IUPAC Name: 2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)COc1ccc2c(c1)N(c1nc(-c3ccc(O)c(F)c3)nc3c1CS(=O)C3)CC2
• InChI: InChI=1S/C24H23FN4O4S/c1-28(2)22(31)11-33-16-5-3-14-7-8-29(20(14)10-16)24-17-12-34(32)13-19(17)26-23(27-24)15-4-6-21(30)18(25)9-15/h3-6,9-10,30H,7-8,11-13H2,1-2H3
• InChIKey: FCLDDFCZPZNLEO-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 95.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide?

The IUPAC name of 2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide (CID 137006896) is 2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc2c(c1)N(c1nc(-c3ccc(O)c(F)c3)nc3c1CS(=O)C3)CC2.

What is the InChIKey of 2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide?

The InChIKey is FCLDDFCZPZNLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4S/c1-28(2)22(31)11-33-16-5-3-14-7-8-29(20(14)10-16)24-17-12-34(32)13-19(17)26-23(27-24)15-4-6-21(30)18(25)9-15/h3-6,9-10,30H,7-8,11-13H2,1-2H3.

What are the key properties of 2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide?

2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 482.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 137006896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).