Basic information
- Standard SMILES
O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4cc[nH]c4c3)cc2)C1- InChIKey
XGKWRZYDIUHIEG-INIZCTEOSA-N- Molecular formula
- C25H25N5O2
- Average molar mass
- 427.5 g/mol
Names & identifiers
- Preferred name
- 5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-4-[4-(1H-indol-6-yl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 3-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[4-(1H-indol-6-yl)phenyl]-1H-1,2,4-triazol-5-one
Names & synonyms
SCHEMBL2356029XGKWRZYDIUHIEG-INIZCTEOSA-N5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-4-[4-(1H-indol-6-yl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 53371571
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 772
Related reactions
2 records
Compound notes
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