Basic information
- Standard SMILES
CN1CCCC(NC(=O)c2c(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cnn2C)C1- InChIKey
KUOBNZCUNJELJT-UHFFFAOYSA-N- Molecular formula
- C23H28N10O2
- Average molar mass
- 476.5 g/mol
Names & identifiers
- Preferred name
- 6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [1-methyl-5-(1-methyl-piperidin-3-ylcarbamoyl)-1H-pyrazol-4-yl]-amide
- IUPAC
- 6-cyclopropyl-N-[1-methyl-5-[(1-methylpiperidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
Names & synonyms
CHEMBL3689973SCHEMBL12068087KUOBNZCUNJELJT-UHFFFAOYSA-NBDBM120640US8703768, 2416-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [1-methyl-5-(1-methyl-piperidin-3-ylcarbamoyl)-1H-pyrazol-4-yl]-amide
Database identifiers
- PubChem CID
- 54762014
- ChEMBL
CHEMBL3689973
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 746
Related reactions
2 records
Compound notes
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