4-Methyl-2-[4-(4-naphthalen-1-yl-piperazin-1-yl)-butoxy]-8H-pyrido[2,3-d]pyrimidin-7-one
Basic information
- Standard SMILES
Cc1nc(OCCCCN2CCN(c3cccc4ccccc34)CC2)nc2[nH]c(=O)ccc12- InChIKey
IYRIYZIWGAULKY-UHFFFAOYSA-N- Molecular formula
- C26H29N5O2
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.23212518
Names & identifiers
- Preferred name
- 4-Methyl-2-[4-(4-naphthalen-1-yl-piperazin-1-yl)-butoxy]-8H-pyrido[2,3-d]pyrimidin-7-one
- IUPAC
- 4-methyl-2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-8H-pyrido[2,3-d]pyrimidin-7-one
Names & synonyms
SCHEMBL5383094IYRIYZIWGAULKY-UHFFFAOYSA-N4-Methyl-2-[4-(4-naphthalen-1-yl-piperazin-1-yl)-butoxy]-8H-pyrido[2,3-d]pyrimidin-7-one
Database identifiers
- PubChem CID
- 21073403
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 680
Related reactions
2 records
Compound notes
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