trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C44H56N12O4S4Si2 — CID 163797036

About trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 163797036) has the molecular formula C44H56N12O4S4Si2 and a molecular weight of 1001.45 g/mol. Its IUPAC name is trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 163797036
• Molecular Formula: C44H56N12O4S4Si2
• Molecular Weight: 1001.45 g/mol
• Exact Mass: 1000.30
• IUPAC Name: trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: CSc1ncc(C)c(-c2cn(COCC[Si](C)(C)C)c3nc(-c4nc(C)ns4)ccc23)n1.Cc1nsc(-c2ccc3c(-c4nc(S(C)(=O)=O)ncc4C)cn(COCC[Si](C)(C)C)c3n2)n1
• InChI: InChI=1S/C22H28N6O3S2Si.C22H28N6OS2Si/c1-14-11-23-22(33(3,29)30)26-19(14)17-12-28(13-31-9-10-34(4,5)6)20-16(17)7-8-18(25-20)21-24-15(2)27-32-21;1-14-11-23-22(30-3)26-19(14)17-12-28(13-29-9-10-32(4,5)6)20-16(17)7-8-18(25-20)21-24-15(2)27-31-21/h7-8,11-12H,9-10,13H2,1-6H3;7-8,11-12H,9-10,13H2,1-6H3
• InChIKey: NBSBEVSQLQMJBQ-UHFFFAOYSA-N
• XLogP: 10.01
• TPSA: 191.36 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1001.45
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-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-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 163797036) is trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-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-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-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-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CSc1ncc(C)c(-c2cn(COCC[Si](C)(C)C)c3nc(-c4nc(C)ns4)ccc23)n1.Cc1nsc(-c2ccc3c(-c4nc(S(C)(=O)=O)ncc4C)cn(COCC[Si](C)(C)C)c3n2)n1.

What is the InChIKey of trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is NBSBEVSQLQMJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S2Si.C22H28N6OS2Si/c1-14-11-23-22(33(3,29)30)26-19(14)17-12-28(13-31-9-10-34(4,5)6)20-16(17)7-8-18(25-20)21-24-15(2)27-32-21;1-14-11-23-22(30-3)26-19(14)17-12-28(13-29-9-10-32(4,5)6)20-16(17)7-8-18(25-20)21-24-15(2)27-31-21/h7-8,11-12H,9-10,13H2,1-6H3;7-8,11-12H,9-10,13H2,1-6H3.

What are the key properties of trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-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 1001.45 g/mol, XLogP of 10.01, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-(5-methyl-2-methylsulfonylpyrimidin-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 163797036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).