trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane

C17H22F3N5OSi — CID 86707163

IUPACtrimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ncc2cnc(-c3cnn(CC(F)(F)F)c3)cc21
InChIInChI=1S/C17H22F3N5OSi/c1-27(2,3)5-4-26-12-25-16-6-15(21-7-13(16)8-23-25)14-9-22-24(10-14)11-17(18,19)20/h6-10H,4-5,11-12H2,1-3H3
InChIKeyMKWKJLPBVPYDLO-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.17
Rot. Bonds7

About trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 86707163) has the molecular formula C17H22F3N5OSi and a molecular weight of 397.48 g/mol. Its IUPAC name is trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID86707163
Molecular FormulaC17H22F3N5OSi
Molecular Weight397.48 g/mol
Exact Mass397.15
IUPAC Nametrimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ncc2cnc(-c3cnn(CC(F)(F)F)c3)cc21
InChIInChI=1S/C17H22F3N5OSi/c1-27(2,3)5-4-26-12-25-16-6-15(21-7-13(16)8-23-25)14-9-22-24(10-14)11-17(18,19)20/h6-10H,4-5,11-12H2,1-3H3
InChIKeyMKWKJLPBVPYDLO-UHFFFAOYSA-N
XLogP4.17
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane (CID 86707163) is trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ncc2cnc(-c3cnn(CC(F)(F)F)c3)cc21.
What is the InChIKey of trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is MKWKJLPBVPYDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5OSi/c1-27(2,3)5-4-26-12-25-16-6-15(21-7-13(16)8-23-25)14-9-22-24(10-14)11-17(18,19)20/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 397.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 86707163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).