trimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C22H25F3N6OS2Si — CID 162491540

IUPACtrimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCSc1ncc(C(F)(F)F)c(-c2cn(COCC[Si](C)(C)C)c3nc(-c4nc(C)ns4)ccc23)n1
InChIInChI=1S/C22H25F3N6OS2Si/c1-13-27-20(34-30-13)17-7-6-14-15(18-16(22(23,24)25)10-26-21(29-18)33-2)11-31(19(14)28-17)12-32-8-9-35(3,4)5/h6-7,10-11H,8-9,12H2,1-5H3
InChIKeyZPECKKDPAXBXAC-UHFFFAOYSA-N
MW538.70 g/mol
LogP6.37
Rot. Bonds8

About trimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 162491540) has the molecular formula C22H25F3N6OS2Si and a molecular weight of 538.70 g/mol. Its IUPAC name is trimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID162491540
Molecular FormulaC22H25F3N6OS2Si
Molecular Weight538.70 g/mol
Exact Mass538.13
IUPAC Nametrimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCSc1ncc(C(F)(F)F)c(-c2cn(COCC[Si](C)(C)C)c3nc(-c4nc(C)ns4)ccc23)n1
InChIInChI=1S/C22H25F3N6OS2Si/c1-13-27-20(34-30-13)17-7-6-14-15(18-16(22(23,24)25)10-26-21(29-18)33-2)11-31(19(14)28-17)12-32-8-9-35(3,4)5/h6-7,10-11H,8-9,12H2,1-5H3
InChIKeyZPECKKDPAXBXAC-UHFFFAOYSA-N
XLogP6.37
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.70
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 162491540) is trimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CSc1ncc(C(F)(F)F)c(-c2cn(COCC[Si](C)(C)C)c3nc(-c4nc(C)ns4)ccc23)n1.
What is the InChIKey of trimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is ZPECKKDPAXBXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6OS2Si/c1-13-27-20(34-30-13)17-7-6-14-15(18-16(22(23,24)25)10-26-21(29-18)33-2)11-31(19(14)28-17)12-32-8-9-35(3,4)5/h6-7,10-11H,8-9,12H2,1-5H3.
What are the key properties of trimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 538.70 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 162491540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).