2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C26H35Cl2FN4O2Si2 — CID 174277449

IUPAC2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(F)c(-c3c(Cl)n(COCC[Si](C)(C)C)c4ncccc34)nc(Cl)c21
InChIInChI=1S/C26H35Cl2FN4O2Si2/c1-36(2,3)14-12-34-16-32-11-9-19-21(29)22(31-24(27)23(19)32)20-18-8-7-10-30-26(18)33(25(20)28)17-35-13-15-37(4,5)6/h7-11H,12-17H2,1-6H3
InChIKeySJHNDIIVGWOJBG-UHFFFAOYSA-N
MW581.67 g/mol
LogP8.12
Rot. Bonds11

About 2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 174277449) has the molecular formula C26H35Cl2FN4O2Si2 and a molecular weight of 581.67 g/mol. Its IUPAC name is 2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID174277449
Molecular FormulaC26H35Cl2FN4O2Si2
Molecular Weight581.67 g/mol
Exact Mass580.17
IUPAC Name2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(F)c(-c3c(Cl)n(COCC[Si](C)(C)C)c4ncccc34)nc(Cl)c21
InChIInChI=1S/C26H35Cl2FN4O2Si2/c1-36(2,3)14-12-34-16-32-11-9-19-21(29)22(31-24(27)23(19)32)20-18-8-7-10-30-26(18)33(25(20)28)17-35-13-15-37(4,5)6/h7-11H,12-17H2,1-6H3
InChIKeySJHNDIIVGWOJBG-UHFFFAOYSA-N
XLogP8.12
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.67
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 174277449) is 2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(F)c(-c3c(Cl)n(COCC[Si](C)(C)C)c4ncccc34)nc(Cl)c21.
What is the InChIKey of 2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is SJHNDIIVGWOJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35Cl2FN4O2Si2/c1-36(2,3)14-12-34-16-32-11-9-19-21(29)22(31-24(27)23(19)32)20-18-8-7-10-30-26(18)33(25(20)28)17-35-13-15-37(4,5)6/h7-11H,12-17H2,1-6H3.
What are the key properties of 2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 581.67 g/mol, XLogP of 8.12, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 174277449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).