US9296747, Example 5
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Basic information
- Standard SMILES
COc1ccc(Nc2ncc3c(n2)CCN(C(=O)c2cccnc2)C3)cc1- InChIKey
APJCHWXWJHXBQG-UHFFFAOYSA-N- Molecular formula
- C20H19N5O2
- Average molar mass
- 361.4 g/mol
Names & identifiers
- Preferred name
- US9296747, Example 5
- IUPAC
- [2-(4-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone
Names & synonyms
CHEMBL3952249SCHEMBL17620629US9296747, Example 5APJCHWXWJHXBQG-UHFFFAOYSA-NBDBM214710N-(4-methoxyphenyl)-6-(pyridin-3-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
Database identifiers
- PubChem CID
- 118970909
- ChEMBL
CHEMBL3952249
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 497
Related reactions
1 records
Compound notes
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