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Basic information
- Standard SMILES
CCOP(=O)(O)Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(-c4cnn(CCCO)c4C)nc3C(=O)NC)n2)c(OC)c1- InChIKey
KYPLLYGFLQQQDG-UHFFFAOYSA-N- Molecular formula
- C29H34F3N8O6P
- Average molar mass
- 678.6 g/mol
- Monoisotopic mass
- 678.22910232
Names & identifiers
- Preferred name
- Ethyl hydrogen (4-{[4-({6-[1-(3-hydroxypropyl)-5-methyl-1H-pyrazol-4-yl]-2-(methylcarbamoyl)pyridin-3-yl}amino)-5-(trifluoromethyl) pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
- IUPAC
- ethoxy-[[4-[[4-[[6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]-2-(methylcarbamoyl)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]methyl]phosphinic acid
Names & synonyms
Ethyl hydrogen (4-{[4-({6-[1-(3-hydroxypropyl)-5-methyl-1H-pyrazol-4-yl]-2-(methylcarbamoyl)pyridin-3-yl}amino)-5-(trifluoromethyl) pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
Database identifiers
- PubChem CID
- 86697751
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 14
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
1 records
Compound notes
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