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

HCID 57750276

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(CNS(C)(=O)=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
InChIKey
OIMCSCQGZLWWOK-UHFFFAOYSA-N
Molecular formula
C26H34ClN7O5S
Average molar mass
592.1 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL391016OIMCSCQGZLWWOK-UHFFFAOYSA-Ntert-butyl 4-(1-(4-chlorophenyl)-2-(methyl sulfonamido)ethyl carbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamateTert-butyl 4-(1-(4-chlorophenyl)-2-(methylsulfonamido)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Database identifiers

PubChem CID
57750276

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
167 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
40

Related reactions

4 records

Compound notes

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