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

C22H25F3N6O3S2Si — CID 150187231

IUPACtrimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCc1nnc(-c2ccc3c(-c4nc(S(C)(=O)=O)ncc4C(F)(F)F)cn(COCC[Si](C)(C)C)c3n2)s1
InChIInChI=1S/C22H25F3N6O3S2Si/c1-13-29-30-20(35-13)17-7-6-14-15(11-31(19(14)27-17)12-34-8-9-37(3,4)5)18-16(22(23,24)25)10-26-21(28-18)36(2,32)33/h6-7,10-11H,8-9,12H2,1-5H3
InChIKeyFMRJHZYCWSGOKC-UHFFFAOYSA-N
MW570.70 g/mol
LogP5.05
Rot. Bonds8

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

trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 150187231) has the molecular formula C22H25F3N6O3S2Si and a molecular weight of 570.70 g/mol. Its IUPAC name is trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID150187231
Molecular FormulaC22H25F3N6O3S2Si
Molecular Weight570.70 g/mol
Exact Mass570.12
IUPAC Nametrimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCc1nnc(-c2ccc3c(-c4nc(S(C)(=O)=O)ncc4C(F)(F)F)cn(COCC[Si](C)(C)C)c3n2)s1
InChIInChI=1S/C22H25F3N6O3S2Si/c1-13-29-30-20(35-13)17-7-6-14-15(11-31(19(14)27-17)12-34-8-9-37(3,4)5)18-16(22(23,24)25)10-26-21(28-18)36(2,32)33/h6-7,10-11H,8-9,12H2,1-5H3
InChIKeyFMRJHZYCWSGOKC-UHFFFAOYSA-N
XLogP5.05
TPSA112.75 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 150187231) is trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is Cc1nnc(-c2ccc3c(-c4nc(S(C)(=O)=O)ncc4C(F)(F)F)cn(COCC[Si](C)(C)C)c3n2)s1.
What is the InChIKey of trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is FMRJHZYCWSGOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O3S2Si/c1-13-29-30-20(35-13)17-7-6-14-15(11-31(19(14)27-17)12-34-8-9-37(3,4)5)18-16(22(23,24)25)10-26-21(28-18)36(2,32)33/h6-7,10-11H,8-9,12H2,1-5H3.
What are the key properties of trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 570.70 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 150187231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).