1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one

C23H24F2N2O5S — CID 165108403

About 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one

1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one (PubChem CID 165108403) has the molecular formula C23H24F2N2O5S and a molecular weight of 478.52 g/mol. Its IUPAC name is 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one.

Molecular Properties

• Compound Name: 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one
• PubChem CID: 165108403
• Molecular Formula: C23H24F2N2O5S
• Molecular Weight: 478.52 g/mol
• Exact Mass: 478.14
• IUPAC Name: 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one
• SMILES: CCOc1cc(N2C(=O)C(C)(C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)c(F)cc32)c(F)cn1
• InChI: InChI=1S/C23H24F2N2O5S/c1-5-32-20-8-18(16(25)10-26-20)27-17-7-15(24)13(6-14(17)22(2,3)21(27)29)19(28)9-23(4)11-33(30,31)12-23/h6-8,10H,5,9,11-12H2,1-4H3
• InChIKey: IOZXOXVYEVCOOC-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 93.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.52
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one?

The IUPAC name of 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one (CID 165108403) is 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one.

What is the SMILES notation for 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one?

The canonical SMILES for 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one is CCOc1cc(N2C(=O)C(C)(C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)c(F)cc32)c(F)cn1.

What is the InChIKey of 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one?

The InChIKey is IOZXOXVYEVCOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O5S/c1-5-32-20-8-18(16(25)10-26-20)27-17-7-15(24)13(6-14(17)22(2,3)21(27)29)19(28)9-23(4)11-33(30,31)12-23/h6-8,10H,5,9,11-12H2,1-4H3.

What are the key properties of 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one?

1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one has a molecular weight of 478.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-5-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]indol-2-one is sourced from PubChem (CID 165108403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).