Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4cnn(C)c4Nc4cccc(-c5ccccc5)n4)cc3)cc2)CC1- InChIKey
CYVPRVYBNFFWTA-UHFFFAOYSA-N- Molecular formula
- C33H30N4O2
- Average molar mass
- 514.6 g/mol
Names & identifiers
- Preferred name
- 1-{4'-[1-Methyl-5-(6-phenyl-pyridin-2-ylamino)-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[4-[4-[1-methyl-5-[(6-phenyl-2-pyridinyl)amino]pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL9904123CYVPRVYBNFFWTA-UHFFFAOYSA-N1-{4'-[1-Methyl-5-(6-phenyl-pyridin-2-ylamino)-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67959565
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 796
Related reactions
1 records
Compound notes
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