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

HCID 57750387

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
InChIKey
QIGUQECRLHBCDL-UHFFFAOYSA-N
Molecular formula
C26H33ClN6O4
Average molar mass
529 g/mol
Monoisotopic mass
528.2251812

Names & identifiers

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

Names & synonyms

SCHEMBL390345QIGUQECRLHBCDL-UHFFFAOYSA-Ntert-butyl 4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Database identifiers

PubChem CID
57750387

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
132 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
37

Related reactions

10 records

Compound notes

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