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

C25H33N4O5PS — CID 167434240

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

4-[5-dimethylphosphoryl-4-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434240) has the molecular formula C25H33N4O5PS and a molecular weight of 532.60 g/mol. Its IUPAC name is 4-[5-dimethylphosphoryl-4-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-dimethylphosphoryl-4-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 167434240
• Molecular Formula: C25H33N4O5PS
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.19
• IUPAC Name: 4-[5-dimethylphosphoryl-4-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: Cc1c(P(C)(C)=O)sc(-c2cn(C)c(=O)c3[nH]c(C(=O)NC(C)C)cc23)c1OCC1CCC(=O)N1C
• InChI: InChI=1S/C25H33N4O5PS/c1-13(2)26-23(31)18-10-16-17(11-28(4)24(32)20(16)27-18)22-21(14(3)25(36-22)35(6,7)33)34-12-15-8-9-19(30)29(15)5/h10-11,13,15,27H,8-9,12H2,1-7H3,(H,26,31)
• InChIKey: OZFGIUGWPUXYKK-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 113.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	3.29
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-4-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 4-[5-dimethylphosphoryl-4-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434240) is 4-[5-dimethylphosphoryl-4-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

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

The canonical SMILES for 4-[5-dimethylphosphoryl-4-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1c(P(C)(C)=O)sc(-c2cn(C)c(=O)c3[nH]c(C(=O)NC(C)C)cc23)c1OCC1CCC(=O)N1C.

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

The InChIKey is OZFGIUGWPUXYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N4O5PS/c1-13(2)26-23(31)18-10-16-17(11-28(4)24(32)20(16)27-18)22-21(14(3)25(36-22)35(6,7)33)34-12-15-8-9-19(30)29(15)5/h10-11,13,15,27H,8-9,12H2,1-7H3,(H,26,31).

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

4-[5-dimethylphosphoryl-4-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 532.60 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-dimethylphosphoryl-4-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).