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Basic information
- Standard SMILES
CCN1CCN(CCCC#Cc2cn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c23)CC1- InChIKey
MGZWZISLCMCMLW-UHFFFAOYSA-N- Molecular formula
- C26H34ClN7O
- Average molar mass
- 496 g/mol
- Monoisotopic mass
- 495.2513364
Names & identifiers
- Preferred name
- 4-chloro-5-(5-(4-ethylpiperazin-1-yl)pent-1-ynyl)-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
- IUPAC
- 4-chloro-5-[5-(4-ethylpiperazin-1-yl)pent-1-ynyl]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
Names & synonyms
SCHEMBL313400MGZWZISLCMCMLW-UHFFFAOYSA-N4-chloro-5-(5-(4-ethylpiperazin-1-yl)pent-1-ynyl)-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Database identifiers
- PubChem CID
- 57713833
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 736
Related reactions
3 records
Compound notes
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