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Basic information
- Standard SMILES
C=CC(=O)N1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1- InChIKey
NIISRROSGISLLL-UHFFFAOYSA-N- Molecular formula
- C24H28ClN7O
- Average molar mass
- 466 g/mol
- Monoisotopic mass
- 465.2043862
Names & identifiers
- Preferred name
- 1-(4-(4-(5-chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-2,5-dimethylphenyl)piperidin-1-yl)prop-2-en-1-one
- IUPAC
- 1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]prop-2-en-1-one
Names & synonyms
SCHEMBL1771162NIISRROSGISLLL-UHFFFAOYSA-N1-(4-(4-(5-chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-2,5-dimethylphenyl)piperidin-1-yl)prop-2-en-1-one
Database identifiers
- PubChem CID
- 67155437
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 673
Related reactions
5 records
Compound notes
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