4-amino-N-(1-(4-chlorophenyl)-3-(methylsulfonamido)propyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Basic information
- Standard SMILES
CS(=O)(=O)NCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1- InChIKey
GHETXRUUPUTFCN-UHFFFAOYSA-N- Molecular formula
- C22H28ClN7O3S
- Average molar mass
- 506 g/mol
Names & identifiers
- Preferred name
- 4-amino-N-(1-(4-chlorophenyl)-3-(methylsulfonamido)propyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
- IUPAC
- 4-amino-N-[1-(4-chlorophenyl)-3-(methanesulfonamido)propyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Names & synonyms
CHEMBL2325736SCHEMBL388011GHETXRUUPUTFCN-UHFFFAOYSA-NBDBM504273534-amino-N-(1-(4-chlorophenyl)-3-(methylsulfonamido)propyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Database identifiers
- PubChem CID
- 57750312
- ChEMBL
CHEMBL2325736
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 795
Related reactions
2 records
Compound notes
Loading…