Basic information
- Standard SMILES
Nc1ncnc2c1c(C(=O)c1cccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)c1)cn2C1CCNCC1- InChIKey
JHAOFLFNHXEYLA-UHFFFAOYSA-N- Molecular formula
- C25H23Cl2N7O2
- Average molar mass
- 524.4 g/mol
- Monoisotopic mass
- 523.1290284
Names & identifiers
- Preferred name
- 1-[3-(4-Amino-7-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-3-(3,5-dichloro-phenyl)-urea
- IUPAC
- 1-[3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(3,5-dichlorophenyl)urea
Names & synonyms
SCHEMBL1941500JHAOFLFNHXEYLA-UHFFFAOYSA-N1-[3-(4-Amino-7-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-3-(3,5-dichloro-phenyl)-urea1-[3-(4-Amino-7-piperidin-4-yl-7H-pyrrolo[23-d]pyrimidine-5-carbonyl)-phenyl]-3-(3,5-dichloro-phenyl)-urea
Database identifiers
- PubChem CID
- 67219862
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 776
Related reactions
9 records
Compound notes
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