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Basic information
- Standard SMILES
CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-c4cc(Nc5ccc(C(=O)N6CCOCC6)cn5)c5ncnn5c4)c3CO)ncc2c1- InChIKey
NLQKQHRVRFYTOB-UHFFFAOYSA-N- Molecular formula
- C35H33FN8O4
- Average molar mass
- 648.7 g/mol
- Monoisotopic mass
- 648.26087973
Names & identifiers
- Preferred name
- 6-tert-butyl-8-fluoro-2-(2-hydroxymethyl-3-{8-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-phenyl)-2H-phthalazin-1-one
- IUPAC
- 6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]phthalazin-1-one
Names & synonyms
SCHEMBL15007470NLQKQHRVRFYTOB-UHFFFAOYSA-N6-tert-butyl-8-fluoro-2-(2-hydroxymethyl-3-{8-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-phenyl)-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 86686830
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
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