Basic information
- Standard SMILES
Cc1cccc2c(C3=C(c4nc(N5CCNC6(CC6)C5)cc5ccccc45)C(=O)N(CO)C3=O)c[nH]c12- InChIKey
YIQFXQJHSDPEQS-UHFFFAOYSA-N- Molecular formula
- C29H27N5O3
- Average molar mass
- 493.6 g/mol
Names & identifiers
- Preferred name
- 3-[3-(4,7-Diaza-spiro[2.5]oct-7-yl)-isoquinolin-1-yl]-1-hydroxymethyl-4-(7-methyl-1H-indol-3-yl)-pyrrole-2,5-dione
- IUPAC
- 3-[3-(4,7-diazaspiro[2.5]octan-7-yl)isoquinolin-1-yl]-1-(hydroxymethyl)-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione
Names & synonyms
SCHEMBL13858879YIQFXQJHSDPEQS-UHFFFAOYSA-N3-[3-(4,7-Diaza-spiro[2.5]oct-7-yl)-isoquinolin-1-yl]-1-hydroxymethyl-4-(7-methyl-1H-indol-3-yl)-pyrrole-2,5-dione
Database identifiers
- PubChem CID
- 71014601
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 979
Related reactions
2 records
Compound notes
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