Basic information
- Standard SMILES
CC(C)(C)C(=O)c1c[nH]c2ncc(NC(=O)NC3CCCCC3)nc12- InChIKey
JLEXPEZAZZATJU-UHFFFAOYSA-N- Molecular formula
- C18H25N5O2
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- 1-cyclohexyl-3-[7-(2,2-dimethyl-propionyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-urea
- IUPAC
- 1-cyclohexyl-3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]urea
Names & synonyms
SCHEMBL2336764JLEXPEZAZZATJU-UHFFFAOYSA-N1-cyclohexyl-3-[7-(2,2-dimethyl-propionyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-urea
Database identifiers
- PubChem CID
- 44200326
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
2 records
Compound notes
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