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

C23H29N4O5PS — CID 167434053

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

4-[5-dimethylphosphoryl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434053) has the molecular formula C23H29N4O5PS and a molecular weight of 504.55 g/mol. Its IUPAC name is 4-[5-dimethylphosphoryl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]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-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 167434053
• Molecular Formula: C23H29N4O5PS
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.16
• IUPAC Name: 4-[5-dimethylphosphoryl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]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)cc3OCC3CCC(=O)N3C)cn(C)c(=O)c2[nH]1
• InChI: InChI=1S/C23H29N4O5PS/c1-6-24-22(29)16-9-14-15(11-26(2)23(30)20(14)25-16)21-17(10-19(34-21)33(4,5)31)32-12-13-7-8-18(28)27(13)3/h9-11,13,25H,6-8,12H2,1-5H3,(H,24,29)
• InChIKey: WGHVSRJEYJIDBH-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 113.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	2.59
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-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]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-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434053) is 4-[5-dimethylphosphoryl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]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-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]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-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]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)cc3OCC3CCC(=O)N3C)cn(C)c(=O)c2[nH]1.

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

The InChIKey is WGHVSRJEYJIDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N4O5PS/c1-6-24-22(29)16-9-14-15(11-26(2)23(30)20(14)25-16)21-17(10-19(34-21)33(4,5)31)32-12-13-7-8-18(28)27(13)3/h9-11,13,25H,6-8,12H2,1-5H3,(H,24,29).

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

4-[5-dimethylphosphoryl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 504.55 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-dimethylphosphoryl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).