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Basic information
- Standard SMILES
Cn1c(-c2cncnc2)nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc21- InChIKey
CVORWNSLFOOSQG-UHFFFAOYSA-N- Molecular formula
- C22H20N8O
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.17600729
Names & identifiers
- Preferred name
- 1'-(9-Methyl-8-pyrimidin-5-yl-9H-purin-6-yl)spiro[indole-3,4'-piperidin]-2(1H)-one
- IUPAC
- 1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one
Names & synonyms
SCHEMBL794882CVORWNSLFOOSQG-UHFFFAOYSA-N1'-(9-Methyl-8-pyrimidin-5-yl-9H-purin-6-yl)spiro[indole-3,4'-piperidin]-2(1H)-one
Database identifiers
- PubChem CID
- 66802453
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 676
Related reactions
1 records
Compound notes
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