Basic information
- CAS
877399-32-1- Standard SMILES
CC(Oc1cc(-c2cnn(CC3CN(C(=O)OC(C)(C)C)C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl- InChIKey
OQZGQPDIZCADIZ-UHFFFAOYSA-N- Molecular formula
- C25H28Cl2FN5O3
- Average molar mass
- 536.4 g/mol
- Monoisotopic mass
- 535.1553233
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 3-[[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyrazol-1-yl]methyl]-1-azetidinecarboxylate
- IUPAC
- tert-butyl 3-[[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]azetidine-1-carboxylate
Names & synonyms
SCHEMBL1581497DTXSID1011018761,1-Dimethylethyl 3-[[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyrazol-1-yl]methyl]-1-azetidinecarboxylate877399-32-1
Database identifiers
- CAS
877399-32-1- PubChem CID
- 11613503
- DTXSID
DTXSID101101876
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 756
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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