1-[3-(4-Amino-7-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-3-(3,5-dichloro-phenyl)-urea

HCID 67219862

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

Related reactions

9 records

Compound notes

Loading…