Basic information
- Standard SMILES
CCOC(=O)OCCC#Cc1cn(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c12- InChIKey
NIRPAADGNDWYEJ-UHFFFAOYSA-N- Molecular formula
- C22H24ClN5O4
- Average molar mass
- 457.9 g/mol
Names & identifiers
- Preferred name
- 4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-ynyl ethyl carbonate
- IUPAC
- 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]but-3-ynyl ethyl carbonate
Names & synonyms
SCHEMBL3895758NIRPAADGNDWYEJ-UHFFFAOYSA-N4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-ynyl ethyl carbonate
Database identifiers
- PubChem CID
- 57713822
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 700
Related reactions
2 records
Compound notes
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