2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane

C22H27ClN4O2Si — CID 167374715

IUPAC2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc2c(cnn2COCC[Si](C)(C)C)cc1-c1cc2cc(Cl)ncc2n1C
InChIInChI=1S/C22H27ClN4O2Si/c1-26-19(9-15-10-22(23)24-13-20(15)26)17-8-16-12-25-27(18(16)11-21(17)28-2)14-29-6-7-30(3,4)5/h8-13H,6-7,14H2,1-5H3
InChIKeyHOYARWGLQTXDBX-UHFFFAOYSA-N
MW443.02 g/mol
LogP5.56
Rot. Bonds7

About 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 167374715) has the molecular formula C22H27ClN4O2Si and a molecular weight of 443.02 g/mol. Its IUPAC name is 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID167374715
Molecular FormulaC22H27ClN4O2Si
Molecular Weight443.02 g/mol
Exact Mass442.16
IUPAC Name2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc2c(cnn2COCC[Si](C)(C)C)cc1-c1cc2cc(Cl)ncc2n1C
InChIInChI=1S/C22H27ClN4O2Si/c1-26-19(9-15-10-22(23)24-13-20(15)26)17-8-16-12-25-27(18(16)11-21(17)28-2)14-29-6-7-30(3,4)5/h8-13H,6-7,14H2,1-5H3
InChIKeyHOYARWGLQTXDBX-UHFFFAOYSA-N
XLogP5.56
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.02
LogP ≤ 55.56
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-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane (CID 167374715) is 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane is COc1cc2c(cnn2COCC[Si](C)(C)C)cc1-c1cc2cc(Cl)ncc2n1C.
What is the InChIKey of 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HOYARWGLQTXDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2Si/c1-26-19(9-15-10-22(23)24-13-20(15)26)17-8-16-12-25-27(18(16)11-21(17)28-2)14-29-6-7-30(3,4)5/h8-13H,6-7,14H2,1-5H3.
What are the key properties of 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 443.02 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxyindazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 167374715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).