Basic information
- Standard SMILES
COC(=O)CCCn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21- InChIKey
CBIYGYWSUXXWGC-UHFFFAOYSA-N- Molecular formula
- C30H40F2N6O5Si
- Average molar mass
- 630.8 g/mol
- Monoisotopic mass
- 630.27975126
Names & identifiers
- Preferred name
- 4-{3-[7-tert-butylcarbamoyl-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-5-difluoromethoxy-indazol-1-yl}-butyric acid methyl ester
- IUPAC
- methyl 4-[3-[7-(tert-butylcarbamoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-5-(difluoromethoxy)indazol-1-yl]butanoate
Names & synonyms
4-{3-[7-tert-butylcarbamoyl-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-5-difluoromethoxy-indazol-1-yl}-butyric acid methyl esterSCHEMBL147374284-{3-[7-tert-butylcarbamoyl-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-5-difluoromethoxy-indazol-1-yl}-butyric acid methyl ester
Database identifiers
- PubChem CID
- 71279688
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 969
Related reactions
2 records
Compound notes
Loading…