2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C21H25F4N3O2Si — CID 131744457

IUPAC2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(CC(F)(F)F)c(-c2cc3c(cn2)cnn3COCC[Si](C)(C)C)cc1F
InChIInChI=1S/C21H25F4N3O2Si/c1-29-20-7-14(10-21(23,24)25)16(8-17(20)22)18-9-19-15(11-26-18)12-27-28(19)13-30-5-6-31(2,3)4/h7-9,11-12H,5-6,10,13H2,1-4H3
InChIKeyRTNNAYNQCVPTGV-UHFFFAOYSA-N
MW455.53 g/mol
LogP5.66
Rot. Bonds8

About 2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 131744457) has the molecular formula C21H25F4N3O2Si and a molecular weight of 455.53 g/mol. Its IUPAC name is 2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID131744457
Molecular FormulaC21H25F4N3O2Si
Molecular Weight455.53 g/mol
Exact Mass455.17
IUPAC Name2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(CC(F)(F)F)c(-c2cc3c(cn2)cnn3COCC[Si](C)(C)C)cc1F
InChIInChI=1S/C21H25F4N3O2Si/c1-29-20-7-14(10-21(23,24)25)16(8-17(20)22)18-9-19-15(11-26-18)12-27-28(19)13-30-5-6-31(2,3)4/h7-9,11-12H,5-6,10,13H2,1-4H3
InChIKeyRTNNAYNQCVPTGV-UHFFFAOYSA-N
XLogP5.66
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.53
LogP ≤ 55.66
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-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 131744457) is 2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1cc(CC(F)(F)F)c(-c2cc3c(cn2)cnn3COCC[Si](C)(C)C)cc1F.
What is the InChIKey of 2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is RTNNAYNQCVPTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F4N3O2Si/c1-29-20-7-14(10-21(23,24)25)16(8-17(20)22)18-9-19-15(11-26-18)12-27-28(19)13-30-5-6-31(2,3)4/h7-9,11-12H,5-6,10,13H2,1-4H3.
What are the key properties of 2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 455.53 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 131744457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).