tert-butyl 4-(1-(4-chlorophenyl)-3-(1,3-dioxoisoindolin-2-yl)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

HCID 57750333

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(CCN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
InChIKey
BKQSLDPLBAVHGA-UHFFFAOYSA-N
Molecular formula
C34H36ClN7O5
Average molar mass
658.1 g/mol

Names & identifiers

Preferred name
tert-butyl 4-(1-(4-chlorophenyl)-3-(1,3-dioxoisoindolin-2-yl)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
IUPAC
tert-butyl N-[4-[[1-(4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propyl]carbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate

Names & synonyms

SCHEMBL391912BKQSLDPLBAVHGA-UHFFFAOYSA-Ntert-butyl 4-(1-(4-chlorophenyl)-3-(1,3-dioxoisoindolin-2-yl)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Database identifiers

PubChem CID
57750333

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
150 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
47

Related reactions

4 records

Compound notes

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