Basic information
- Standard SMILES
Cc1ccn2c(=O)c(CCN3CCC(c4c[nH]c5ccccc45)CC3)c(C)nc2c1- InChIKey
WGBCJQWERUBATR-UHFFFAOYSA-N- Molecular formula
- C25H28N4O
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.22631153
Names & identifiers
- Preferred name
- 3-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
- IUPAC
- 3-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
Names & synonyms
SCHEMBL10964086WGBCJQWERUBATR-UHFFFAOYSA-N3-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
Database identifiers
- PubChem CID
- 20530728
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 815
Related reactions
2 records
Compound notes
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