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

C18H20ClF3N4OSi — CID 142533724

IUPAC2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2cnc(C(F)(F)F)nc2)cc2c(Cl)ccnc21
InChIInChI=1S/C18H20ClF3N4OSi/c1-28(2,3)7-6-27-11-26-15(8-13-14(19)4-5-23-16(13)26)12-9-24-17(25-10-12)18(20,21)22/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyWGUQJNJMDIUJLQ-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.48
Rot. Bonds6

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

2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 142533724) has the molecular formula C18H20ClF3N4OSi and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID142533724
Molecular FormulaC18H20ClF3N4OSi
Molecular Weight428.92 g/mol
Exact Mass428.10
IUPAC Name2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2cnc(C(F)(F)F)nc2)cc2c(Cl)ccnc21
InChIInChI=1S/C18H20ClF3N4OSi/c1-28(2,3)7-6-27-11-26-15(8-13-14(19)4-5-23-16(13)26)12-9-24-17(25-10-12)18(20,21)22/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyWGUQJNJMDIUJLQ-UHFFFAOYSA-N
XLogP5.48
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 142533724) is 2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2cnc(C(F)(F)F)nc2)cc2c(Cl)ccnc21.
What is the InChIKey of 2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WGUQJNJMDIUJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N4OSi/c1-28(2,3)7-6-27-11-26-15(8-13-14(19)4-5-23-16(13)26)12-9-24-17(25-10-12)18(20,21)22/h4-5,8-10H,6-7,11H2,1-3H3.
What are the key properties of 2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 428.92 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 142533724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).