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

HCID 57750300

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(Cc2nccs2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
InChIKey
FODJDXUWDJGQAZ-UHFFFAOYSA-N
Molecular formula
C28H32ClN7O3S
Average molar mass
582.1 g/mol
Monoisotopic mass
581.1975868

Names & identifiers

Preferred name
tert-butyl 4-(1-(4-chlorophenyl)-2-(thiazol-2-yl)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
IUPAC
tert-butyl N-[4-[[1-(4-chlorophenyl)-2-(1,3-thiazol-2-yl)ethyl]carbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate

Names & synonyms

SCHEMBL391736FODJDXUWDJGQAZ-UHFFFAOYSA-Ntert-butyl 4-(1-(4-chlorophenyl)-2-(thiazol-2-yl)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Database identifiers

PubChem CID
57750300

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
153 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
40

Related reactions

4 records

Compound notes

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