2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C24H30Cl2N2O3SSi — CID 131745144

About 2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 131745144) has the molecular formula C24H30Cl2N2O3SSi and a molecular weight of 525.57 g/mol. Its IUPAC name is 2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 131745144
• Molecular Formula: C24H30Cl2N2O3SSi
• Molecular Weight: 525.57 g/mol
• Exact Mass: 524.11
• IUPAC Name: 2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCn1c(Cl)cc2nc(-c3ccc(C4(CS(C)(=O)=O)CC4)cc3)c(Cl)cc21
• InChI: InChI=1S/C24H30Cl2N2O3SSi/c1-32(29,30)15-24(9-10-24)18-7-5-17(6-8-18)23-19(25)13-21-20(27-23)14-22(26)28(21)16-31-11-12-33(2,3)4/h5-8,13-14H,9-12,15-16H2,1-4H3
• InChIKey: DDKZFINJQKSJJN-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 61.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.57
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 131745144) is 2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(Cl)cc2nc(-c3ccc(C4(CS(C)(=O)=O)CC4)cc3)c(Cl)cc21.

What is the InChIKey of 2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is DDKZFINJQKSJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O3SSi/c1-32(29,30)15-24(9-10-24)18-7-5-17(6-8-18)23-19(25)13-21-20(27-23)14-22(26)28(21)16-31-11-12-33(2,3)4/h5-8,13-14H,9-12,15-16H2,1-4H3.

What are the key properties of 2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 525.57 g/mol, XLogP of 6.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,6-dichloro-5-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]pyrrolo[3,2-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 131745144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).