ethyl 3-(3-(cyclobutyl(((3aR,4R,6R,6aS)-6-(4-((2,4-dimethoxybenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methyl)amino)cyclobutyl)propanoate

HCID 67775683

Basic information

Standard SMILES
CCOC(=O)CCC1CC(N(C[C@H]2C[C@@H](n3ccc4c(NCc5ccc(OC)cc5OC)ncnc43)[C@@H]3OC(C)(C)O[C@H]23)C2CCC2)C1
InChIKey
ZFWLCMUFLWEVSU-KFNXVUTJSA-N
Molecular formula
C37H51N5O6
Average molar mass
661.8 g/mol

Names & identifiers

Preferred name
ethyl 3-(3-(cyclobutyl(((3aR,4R,6R,6aS)-6-(4-((2,4-dimethoxybenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methyl)amino)cyclobutyl)propanoate
IUPAC
ethyl 3-[3-[[(3aS,4R,6R,6aR)-4-[4-[(2,4-dimethoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl-cyclobutylamino]cyclobutyl]propanoate

Names & synonyms

SCHEMBL9107586ZFWLCMUFLWEVSU-KFNXVUTJSA-Nethyl 3-(3-(cyclobutyl(((3aR,4R,6R,6aS)-6-(4-((2,4-dimethoxybenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methyl)amino)cyclobutyl)propanoate

Database identifiers

PubChem CID
67775683

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
15
Heavy atoms
48

Related reactions

4 records

Compound notes

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