Basic information
- Standard SMILES
Cn1cc(-c2ncc3c(=O)n(C)cc(-c4cc(S(C)(=O)=O)ccc4OCC4CC4)c3n2)cn1- InChIKey
FHFQYWVVAVDPFX-UHFFFAOYSA-N- Molecular formula
- C23H23N5O4S
- Average molar mass
- 465.5 g/mol
Names & identifiers
- Preferred name
- US10023592, Example 224
- IUPAC
- 8-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-6-methyl-2-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-5-one
Names & synonyms
CHEMBL6012596SCHEMBL16651137SCHEMBL29848683FHFQYWVVAVDPFX-UHFFFAOYSA-NBDBM285179US10023592, Example 2248-[2-(cyclopropylmethoxy)-5- methylsulfonylphenyl]-6-methyl-2- (1-methylpyrazol-4-yl)pyrido[4,3-d] pyrimidin-5-one8-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-6-methyl-2-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-5-one
Database identifiers
- PubChem CID
- 118022011
- ChEMBL
CHEMBL6012596
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 886
Related reactions
2 records
Compound notes
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