trans-N-{3-[4-amino-5-(3-benzyloxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclobutylmethyl}-2-chloro-acetamide

HCID 69205643
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Basic information

Standard SMILES
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CNC(=O)CCl)C1
InChIKey
TZLXHFXZPZTIEK-UHFFFAOYSA-N
Molecular formula
C26H26ClN5O2
Average molar mass
476 g/mol
Monoisotopic mass
475.1775028

Names & identifiers

Preferred name
trans-N-{3-[4-amino-5-(3-benzyloxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclobutylmethyl}-2-chloro-acetamide
IUPAC
N-[[3-[4-amino-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl]-2-chloroacetamide

Names & synonyms

SCHEMBL4826030SCHEMBL4826034TZLXHFXZPZTIEK-KESTWPANSA-Ntrans-N-{3-[4-amino-5-(3-benzyloxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclobutylmethyl}-2-chloro-acetamide

Database identifiers

PubChem CID
69205643

Properties

Computed structural properties

XLogP
4
Topological polar surface area
95.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
34

Related reactions

2 records
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Compound notes

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