4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C23H24FN4O4PS — CID 167434249

About 4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434249) has the molecular formula C23H24FN4O4PS and a molecular weight of 502.51 g/mol. Its IUPAC name is 4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 167434249
• Molecular Formula: C23H24FN4O4PS
• Molecular Weight: 502.51 g/mol
• Exact Mass: 502.12
• IUPAC Name: 4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CCNC(=O)c1cc2c(-c3sc(P(C)(C)=O)cc3Oc3ncc(F)cc3C)cn(C)c(=O)c2[nH]1
• InChI: InChI=1S/C23H24FN4O4PS/c1-6-25-21(29)16-8-14-15(11-28(3)23(30)19(14)27-16)20-17(9-18(34-20)33(4,5)31)32-22-12(2)7-13(24)10-26-22/h7-11,27H,6H2,1-5H3,(H,25,29)
• InChIKey: NTAXISHGDGUSFZ-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 106.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.51
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434249) is 4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3sc(P(C)(C)=O)cc3Oc3ncc(F)cc3C)cn(C)c(=O)c2[nH]1.

What is the InChIKey of 4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is NTAXISHGDGUSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN4O4PS/c1-6-25-21(29)16-8-14-15(11-28(3)23(30)19(14)27-16)20-17(9-18(34-20)33(4,5)31)32-22-12(2)7-13(24)10-26-22/h7-11,27H,6H2,1-5H3,(H,25,29).

What are the key properties of 4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 502.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).