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

HCID 57750334
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Basic information

Standard SMILES
C[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1
InChIKey
IQXVMGQINTZQHC-KRWDZBQOSA-N
Molecular formula
C26H33ClN6O3
Average molar mass
513 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL10156500SCHEMBL29436070IQXVMGQINTZQHC-KRWDZBQOSA-N(S)-tert-butyl (4-(1-(4-chlorophenyl)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)methylcarbamate

Database identifiers

PubChem CID
57750334

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
112 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
36

Related reactions

2 records
New reaction record

Linked notes

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