Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)c3cccc(NC(=O)Nc4cc(Cl)cc(Cl)c4)c3)c3c(N)ncnc32)CC1- InChIKey
CLWQPRPKECDADD-UHFFFAOYSA-N- Molecular formula
- C30H31Cl2N7O4
- Average molar mass
- 624.5 g/mol
Names & identifiers
- Preferred name
- 4-(4-Amino-5-{3-[3-(3,5-dichloro-phenyl)-ureido]-benzoyl}-pyrrolo[2,3-d]pyrimidin-7-yl)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-amino-5-[3-[(3,5-dichlorophenyl)carbamoylamino]benzoyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1940211CLWQPRPKECDADD-UHFFFAOYSA-N4-(4-Amino-5-{3-[3-(3,5-dichloro-phenyl)-ureido]-benzoyl}-pyrrolo[2,3-d]pyrimidin-7-yl)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67219160
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 997
Related reactions
3 records
Linked notes
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