Basic information
- Standard SMILES
Cc1cc(C(=O)Nc2nc3cnc(Nc4cc(NC(=O)c5cccc(C(C)(C)C#N)c5)ccc4C)nc3s2)n[nH]1- InChIKey
GOWUKVOYXPAIGX-UHFFFAOYSA-N- Molecular formula
- C28H25N9O2S
- Average molar mass
- 551.6 g/mol
- Monoisotopic mass
- 551.18519225
Names & identifiers
- Preferred name
- N-(5-{[5-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenyl]amino}[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
- IUPAC
- N-[5-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylanilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
Names & synonyms
SCHEMBL2849276GOWUKVOYXPAIGX-UHFFFAOYSA-NN-(5-{[5-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenyl]amino}[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
Database identifiers
- PubChem CID
- 59506928
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 973
Related reactions
2 records
Compound notes
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