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

HCID 67219160

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

Related reactions

3 records

Linked notes

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