Basic information
- Standard SMILES
CC(C)CNC(=O)Nc1cc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)nn1C- InChIKey
MFGFPCBWHSHZJY-UHFFFAOYSA-N- Molecular formula
- C22H28N6O2
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- 1-(3-(4-(4-Cyanophenyl)piperidine-1-carbonyl)-1-methyl-1H-pyrazol-5-yl)-3-isobutylurea
- IUPAC
- 1-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-3-(2-methylpropyl)urea
Names & synonyms
CHEMBL3666553SCHEMBL12488228MFGFPCBWHSHZJY-UHFFFAOYSA-NBDBM137271US8871790, 3511-(3-(4-(4-Cyanophenyl)piperidine-1-carbonyl)-1-methyl-1H-pyrazol-5-yl)-3-isobutylurea
Database identifiers
- PubChem CID
- 68288331
- ChEMBL
CHEMBL3666553
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 643
Related reactions
1 records
Compound notes
Loading…