Basic information
- Standard SMILES
Cc1ccc(NC(=O)Nc2ccccc2)cc1C#Cc1cncc2c1cnn2C- InChIKey
UJBQCXFWKUDNEE-UHFFFAOYSA-N- Molecular formula
- C23H19N5O
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.15896025
Names & identifiers
- Preferred name
- 1-[4-Methyl-3-(1-methyl-1H-pyrazolo[3,4-c]pyridin-4-ylethynyl)-phenyl]-3-phenyl-urea
- IUPAC
- 1-[4-methyl-3-[2-(1-methylpyrazolo[5,4-c]pyridin-4-yl)ethynyl]phenyl]-3-phenylurea
Names & synonyms
SCHEMBL1499331UJBQCXFWKUDNEE-UHFFFAOYSA-N1-[4-Methyl-3-(1-methyl-1H-pyrazolo[3,4-c]pyridin-4-ylethynyl)-phenyl]-3-phenyl-urea
Database identifiers
- PubChem CID
- 59536455
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 634
Related reactions
1 records
Compound notes
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