Basic information
- Standard SMILES
O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)C1CN(C(=O)OCc2ccccc2)CC1O- InChIKey
SAVNCPMFCXWEGJ-UHFFFAOYSA-N- Molecular formula
- C28H25N5O4
- Average molar mass
- 495.5 g/mol
Names & identifiers
- Preferred name
- Phenylmethyl 3-hydroxy-4-({[6-(1H-indol-4-yl)-1H-indazol-4-yl]amino}carbonyl)-1-pyrrolidinecarboxylate
- IUPAC
- benzyl 3-hydroxy-4-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]carbamoyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL1119071SAVNCPMFCXWEGJ-UHFFFAOYSA-NPhenylmethyl 3-hydroxy-4-({[6-(1H-indol-4-yl)-1H-indazol-4-yl]amino}carbonyl)-1-pyrrolidinecarboxylate
Database identifiers
- PubChem CID
- 44540587
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 822
Related reactions
2 records
Compound notes
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