Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(CO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1- InChIKey
CAPZGLAVZQUSQH-UHFFFAOYSA-N- Molecular formula
- C25H31ClN6O4
- Average molar mass
- 515 g/mol
- Monoisotopic mass
- 514.2095312
Names & identifiers
- Preferred name
- tert-Butyl 4-(1-(4-chlorophenyl)-2-hydroxyethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[1-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
Names & synonyms
SCHEMBL391519CAPZGLAVZQUSQH-UHFFFAOYSA-Ntert-Butyl 4-(1-(4-chlorophenyl)-2-hydroxyethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
Database identifiers
- PubChem CID
- 57750378
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 764
Related reactions
4 records
Compound notes
Loading…