2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C18H22ClN3OSi — CID 21081676

IUPAC2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2cccnc2)cc2c(Cl)ccnc21
InChIInChI=1S/C18H22ClN3OSi/c1-24(2,3)10-9-23-13-22-17(14-5-4-7-20-12-14)11-15-16(19)6-8-21-18(15)22/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeySHZPLOJGLSUCMZ-UHFFFAOYSA-N
MW359.93 g/mol
LogP5.06
Rot. Bonds6

About 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 21081676) has the molecular formula C18H22ClN3OSi and a molecular weight of 359.93 g/mol. Its IUPAC name is 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID21081676
Molecular FormulaC18H22ClN3OSi
Molecular Weight359.93 g/mol
Exact Mass359.12
IUPAC Name2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2cccnc2)cc2c(Cl)ccnc21
InChIInChI=1S/C18H22ClN3OSi/c1-24(2,3)10-9-23-13-22-17(14-5-4-7-20-12-14)11-15-16(19)6-8-21-18(15)22/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeySHZPLOJGLSUCMZ-UHFFFAOYSA-N
XLogP5.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.93
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 21081676) is 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2cccnc2)cc2c(Cl)ccnc21.
What is the InChIKey of 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is SHZPLOJGLSUCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OSi/c1-24(2,3)10-9-23-13-22-17(14-5-4-7-20-12-14)11-15-16(19)6-8-21-18(15)22/h4-8,11-12H,9-10,13H2,1-3H3.
What are the key properties of 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 359.93 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 21081676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).