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Basic information
- Standard SMILES
COc1c(C)cnc(Cn2cc(C#Cc3ccccn3)c3c(Cl)nc(N)nc32)c1C- InChIKey
XKGWJQUNCSSPOL-UHFFFAOYSA-N- Molecular formula
- C22H19ClN6O
- Average molar mass
- 418.9 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-5-pyridin-2-ylethynyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamine
- IUPAC
- 4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyridin-2-ylethynyl)pyrrolo[2,3-d]pyrimidin-2-amine
Names & synonyms
SCHEMBL313238XKGWJQUNCSSPOL-UHFFFAOYSA-N4-Chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-5-pyridin-2-ylethynyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamine
Database identifiers
- PubChem CID
- 57713834
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 652
Related reactions
3 records
Compound notes
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