(S)-tert-butyl 4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)-1-(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

HCID 57750284
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]cc(C4CC4)c23)CC1
InChIKey
JSSIRZGEUCUFPR-QFIPXVFZSA-N
Molecular formula
C29H37ClN6O4
Average molar mass
569.1 g/mol
Monoisotopic mass
568.2564814

Names & identifiers

Preferred name
(S)-tert-butyl 4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)-1-(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
IUPAC
tert-butyl N-[4-[[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-1-(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate

Names & synonyms

SCHEMBL390600JSSIRZGEUCUFPR-QFIPXVFZSA-N(5)-tert-butyl 4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)-1-(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate(S)-tert-butyl 4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)-1-(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Database identifiers

PubChem CID
57750284

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
132 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

Loading…