Basic information
- Standard SMILES
O=C(O)Cn1ccc(NC(=O)[C@H](CC2CCCC2)N2Cc3c(cccc3C(F)(F)F)C2=O)n1- InChIKey
NNSCDTZNJFXIBE-KRWDZBQOSA-N- Molecular formula
- C22H23F3N4O4
- Average molar mass
- 464.4 g/mol
Names & identifiers
- Preferred name
- {3-[(S)-3-cyclopentyl-2-(1-oxo-4-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-propionylamino]-pyrazol-1-yl}-acetic acid
- IUPAC
- 2-[3-[[(2S)-3-cyclopentyl-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]propanoyl]amino]pyrazol-1-yl]acetic acid
Names & synonyms
{3-[(S)-3-cyclopentyl-2-(1-oxo-4-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-propionylamino]-pyrazol-1-yl}-acetic acidSCHEMBL13584564
Database identifiers
- PubChem CID
- 70674337
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 758
Related reactions
2 records
Compound notes
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