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

C25H29N4O4PS — CID 167434221

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

4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-4-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434221) has the molecular formula C25H29N4O4PS and a molecular weight of 512.57 g/mol. Its IUPAC name is 4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-4-pyridinyl)oxy]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-3-[(3,5-dimethyl-4-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 167434221
• Molecular Formula: C25H29N4O4PS
• Molecular Weight: 512.57 g/mol
• Exact Mass: 512.16
• IUPAC Name: 4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-4-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: Cc1cncc(C)c1Oc1cc(P(C)(C)=O)sc1-c1cn(C)c(=O)c2[nH]c(C(=O)NC(C)C)cc12
• InChI: InChI=1S/C25H29N4O4PS/c1-13(2)27-24(30)18-8-16-17(12-29(5)25(31)21(16)28-18)23-19(9-20(35-23)34(6,7)32)33-22-14(3)10-26-11-15(22)4/h8-13,28H,1-7H3,(H,27,30)
• InChIKey: ONFKRSGFWCANFB-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 106.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.57
LogP ≤ 5	4.79
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-[(3,5-dimethyl-4-pyridinyl)oxy]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-3-[(3,5-dimethyl-4-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434221) is 4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-4-pyridinyl)oxy]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-3-[(3,5-dimethyl-4-pyridinyl)oxy]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-3-[(3,5-dimethyl-4-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1cncc(C)c1Oc1cc(P(C)(C)=O)sc1-c1cn(C)c(=O)c2[nH]c(C(=O)NC(C)C)cc12.

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

The InChIKey is ONFKRSGFWCANFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N4O4PS/c1-13(2)27-24(30)18-8-16-17(12-29(5)25(31)21(16)28-18)23-19(9-20(35-23)34(6,7)32)33-22-14(3)10-26-11-15(22)4/h8-13,28H,1-7H3,(H,27,30).

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

4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-4-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 512.57 g/mol, XLogP of 4.79, 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-[(3,5-dimethyl-4-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).