2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C27H39ClN4O3Si2 — CID 163251421

About 2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 163251421) has the molecular formula C27H39ClN4O3Si2 and a molecular weight of 559.26 g/mol. Its IUPAC name is 2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 163251421
• Molecular Formula: C27H39ClN4O3Si2
• Molecular Weight: 559.26 g/mol
• Exact Mass: 558.22
• IUPAC Name: 2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: COc1c(-c2cn(COCC[Si](C)(C)C)c3nc(Cl)ccc23)ccc2c1cnn2COCC[Si](C)(C)C
• InChI: InChI=1S/C27H39ClN4O3Si2/c1-33-26-20(8-10-24-22(26)16-29-32(24)19-35-13-15-37(5,6)7)23-17-31(18-34-12-14-36(2,3)4)27-21(23)9-11-25(28)30-27/h8-11,16-17H,12-15,18-19H2,1-7H3
• InChIKey: MYLFRUUSKGAFQU-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.26
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 163251421) is 2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1c(-c2cn(COCC[Si](C)(C)C)c3nc(Cl)ccc23)ccc2c1cnn2COCC[Si](C)(C)C.

What is the InChIKey of 2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is MYLFRUUSKGAFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39ClN4O3Si2/c1-33-26-20(8-10-24-22(26)16-29-32(24)19-35-13-15-37(5,6)7)23-17-31(18-34-12-14-36(2,3)4)27-21(23)9-11-25(28)30-27/h8-11,16-17H,12-15,18-19H2,1-7H3.

What are the key properties of 2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 559.26 g/mol, XLogP of 7.34, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-chloro-3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 163251421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).