Basic information
- Standard SMILES
Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ncc2nc(NC(=O)c3ccn(C)n3)sc2n1- InChIKey
XSSWGRBGAPRKGI-UHFFFAOYSA-N- Molecular formula
- C28H25N9O2S
- Average molar mass
- 551.6 g/mol
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)-1-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]-1-methylpyrazole-3-carboxamide
Names & synonyms
SCHEMBL2851457XSSWGRBGAPRKGI-UHFFFAOYSA-NN-(5-{[5-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenyl]amino}[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Database identifiers
- PubChem CID
- 59506930
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 973
Related reactions
2 records
Compound notes
Loading…