2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C19H21ClF3N3OSi — CID 171933248

IUPAC2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2cccc(C(F)(F)F)c2)c2cc(Cl)ncc21
InChIInChI=1S/C19H21ClF3N3OSi/c1-28(2,3)8-7-27-12-26-16-11-24-17(20)10-15(16)18(25-26)13-5-4-6-14(9-13)19(21,22)23/h4-6,9-11H,7-8,12H2,1-3H3
InChIKeyPVNYKILKBYEZSS-UHFFFAOYSA-N
MW427.93 g/mol
LogP6.08
Rot. Bonds6

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

2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 171933248) has the molecular formula C19H21ClF3N3OSi and a molecular weight of 427.93 g/mol. Its IUPAC name is 2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID171933248
Molecular FormulaC19H21ClF3N3OSi
Molecular Weight427.93 g/mol
Exact Mass427.11
IUPAC Name2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2cccc(C(F)(F)F)c2)c2cc(Cl)ncc21
InChIInChI=1S/C19H21ClF3N3OSi/c1-28(2,3)8-7-27-12-26-16-11-24-17(20)10-15(16)18(25-26)13-5-4-6-14(9-13)19(21,22)23/h4-6,9-11H,7-8,12H2,1-3H3
InChIKeyPVNYKILKBYEZSS-UHFFFAOYSA-N
XLogP6.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.93
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
CID 175820295
trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane
CID 175903508
trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
CID 175982890
5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
CID 58540680
trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 42612115
trimethyl-[2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 150281377
2-[[2-(3-bromophenyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969432
4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine
CID 170970814
2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171839827
methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
CID 162527237
trimethyl-[2-[[5-[2-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl]silane
CID 69472978
2-[(5-chloro-3-iodopyrazolo[3,4-c]pyridin-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
CID 134342497

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 171933248) is 2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2cccc(C(F)(F)F)c2)c2cc(Cl)ncc21.
What is the InChIKey of 2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is PVNYKILKBYEZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3OSi/c1-28(2,3)8-7-27-12-26-16-11-24-17(20)10-15(16)18(25-26)13-5-4-6-14(9-13)19(21,22)23/h4-6,9-11H,7-8,12H2,1-3H3.
What are the key properties of 2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 427.93 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171933248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).