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

C18H21ClFN3OSi — CID 165156359

IUPAC2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc(F)cn2)c2c(Cl)ccnc21
InChIInChI=1S/C18H21ClFN3OSi/c1-25(2,3)9-8-24-12-23-11-14(16-5-4-13(20)10-22-16)17-15(19)6-7-21-18(17)23/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyLABRMUXMALYZPP-UHFFFAOYSA-N
MW377.92 g/mol
LogP5.20
Rot. Bonds6

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

2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 165156359) has the molecular formula C18H21ClFN3OSi and a molecular weight of 377.92 g/mol. Its IUPAC name is 2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID165156359
Molecular FormulaC18H21ClFN3OSi
Molecular Weight377.92 g/mol
Exact Mass377.11
IUPAC Name2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc(F)cn2)c2c(Cl)ccnc21
InChIInChI=1S/C18H21ClFN3OSi/c1-25(2,3)9-8-24-12-23-11-14(16-5-4-13(20)10-22-16)17-15(19)6-7-21-18(17)23/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyLABRMUXMALYZPP-UHFFFAOYSA-N
XLogP5.20
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.20
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-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 165156359) is 2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2ccc(F)cn2)c2c(Cl)ccnc21.
What is the InChIKey of 2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is LABRMUXMALYZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3OSi/c1-25(2,3)9-8-24-12-23-11-14(16-5-4-13(20)10-22-16)17-15(19)6-7-21-18(17)23/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 377.92 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 165156359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).