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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Related Compounds

CID 9895628
CID 9895628
CID 44444205
CID 44444205
CID 11324720
CID 11324720
CID 44444199
CID 44444199
CID 44568640
CID 44568640
CID 44568669
CID 44568669
CID 11443156
CID 11443156
CID 44392653
CID 44392653
CID 44392663
CID 44392663
CID 44392687
CID 44392687
CID 44392695
CID 44392695
CID 44392722
CID 44392722

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).