ethyl 3-(3-((((1R,2R,3S,4R)-4-(4-((2,4-dimethoxybenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl)methyl)amino)cyclobutyl)propanoate

HCID 67775395
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Basic information

Standard SMILES
CCOC(=O)CCC1CC(NC[C@H]2C[C@@H](n3ccc4c(NCc5ccc(OC)cc5OC)ncnc43)[C@H](O)[C@@H]2O)C1
InChIKey
IOTQMZWEOWKYTJ-WNSAYRNGSA-N
Molecular formula
C30H41N5O6
Average molar mass
567.7 g/mol

Names & identifiers

Preferred name
ethyl 3-(3-((((1R,2R,3S,4R)-4-(4-((2,4-dimethoxybenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl)methyl)amino)cyclobutyl)propanoate
IUPAC
ethyl 3-[3-[[(1R,2R,3S,4R)-4-[4-[(2,4-dimethoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methylamino]cyclobutyl]propanoate

Names & synonyms

SCHEMBL9107052IOTQMZWEOWKYTJ-WNSAYRNGSA-Nethyl 3-(3-((((1R,2R,3S,4R)-4-(4-((2,4-dimethoxybenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl)methyl)amino)cyclobutyl)propanoate

Database identifiers

PubChem CID
67775395

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
140 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
10
Rotatable bonds
14
Heavy atoms
41

Related reactions

2 records
New reaction record

Linked notes

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