Ethyl-4-chloro-5-(4-(ethoxycarbonyloxy)but-1-ynyl)-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7h-pyrrolo[2,3-d]pyrimidin-2-ylcarbamate
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Basic information
- Standard SMILES
CCOC(=O)Nc1nc(Cl)c2c(C#CCCOC(=O)OCC)cn(Cc3ncc(C)c(OC)c3C)c2n1- InChIKey
WTFGOPWRUDKUHL-UHFFFAOYSA-N- Molecular formula
- C25H28ClN5O6
- Average molar mass
- 530 g/mol
Names & identifiers
- Preferred name
- Ethyl-4-chloro-5-(4-(ethoxycarbonyloxy)but-1-ynyl)-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7h-pyrrolo[2,3-d]pyrimidin-2-ylcarbamate
- IUPAC
- 4-[4-chloro-2-(ethoxycarbonylamino)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]but-3-ynyl ethyl carbonate
Names & synonyms
SCHEMBL311456WTFGOPWRUDKUHL-UHFFFAOYSA-Nethyl-4-chloro-5-(4-(ethoxycarbonyloxy)but-1-ynyl)-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7h-pyrrolo[2,3-d]pyrimidin-2-ylcarbamate
Database identifiers
- PubChem CID
- 57713843
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 837
Related reactions
2 records
Compound notes
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