Basic information
- Standard SMILES
COC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3c2c(C2CC2)cn3S(=O)(=O)c2ccc(C)cc2)CC1- InChIKey
BLYZOWYOINDNJQ-UHFFFAOYSA-N- Molecular formula
- C28H35N5O6S
- Average molar mass
- 569.7 g/mol
Names & identifiers
- Preferred name
- methyl 4-(tert-butoxycarbonylamino)-1-(5-cyclopropyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
- IUPAC
- methyl 1-[5-cyclopropyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
Names & synonyms
SCHEMBL393494BLYZOWYOINDNJQ-UHFFFAOYSA-Nmethyl 4-(tert-butoxycarbonylamino)-1-(5-cyclopropyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
Database identifiers
- PubChem CID
- 57750287
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
3 records
Compound notes
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