[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane

C19H23F3N4O3SSi — CID 148534407

IUPAC[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane
SMILESCCS(=O)(=O)c1cc(OC[Si](C)(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H23F3N4O3SSi/c1-6-30(27,28)15-7-12(29-11-31(3,4)5)9-24-17(15)18-25-13-8-16(19(20,21)22)23-10-14(13)26(18)2/h7-10H,6,11H2,1-5H3
InChIKeyMQXHTOBZPTXLFN-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.10
Rot. Bonds6

About [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane

[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane (PubChem CID 148534407) has the molecular formula C19H23F3N4O3SSi and a molecular weight of 472.57 g/mol. Its IUPAC name is [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane.

Molecular Properties

Compound Name[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane
PubChem CID148534407
Molecular FormulaC19H23F3N4O3SSi
Molecular Weight472.57 g/mol
Exact Mass472.12
IUPAC Name[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane
SMILESCCS(=O)(=O)c1cc(OC[Si](C)(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H23F3N4O3SSi/c1-6-30(27,28)15-7-12(29-11-31(3,4)5)9-24-17(15)18-25-13-8-16(19(20,21)22)23-10-14(13)26(18)2/h7-10H,6,11H2,1-5H3
InChIKeyMQXHTOBZPTXLFN-UHFFFAOYSA-N
XLogP4.10
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane?
The IUPAC name of [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane (CID 148534407) is [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane.
What is the SMILES notation for [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane?
The canonical SMILES for [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane is CCS(=O)(=O)c1cc(OC[Si](C)(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane?
The InChIKey is MQXHTOBZPTXLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3SSi/c1-6-30(27,28)15-7-12(29-11-31(3,4)5)9-24-17(15)18-25-13-8-16(19(20,21)22)23-10-14(13)26(18)2/h7-10H,6,11H2,1-5H3.
What are the key properties of [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane?
[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane has a molecular weight of 472.57 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane is sourced from PubChem (CID 148534407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).