HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86708564Generated: October 30, 2026
(+/-) 2-((2-Chloro-5-cyano-3-(3-(fluoromethyl)-4-(oxetan-3-yl)piperazin-1-yl)phenyl)amino)-4-(cyclopropyl(4-methoxybenzyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
https://huagongshe.com/en/chemical/86708564
Identifiers & Physical Properties
| Molecular formula | C32H32ClFN10O2 |
|---|
| Average molar mass | 643.1 g/mol |
|---|
| Monoisotopic mass | 642.2382262 g/mol |
|---|
| SMILES | COc1ccc(CN(c2nc(Nc3cc(C#N)cc(N4CCN(C5COC5)C(CF)C4)c3Cl)nn3c(C#N)cnc23)C2CC2)cc1 |
|---|
| InChIKey | ATTYKGVAFNIADH-UHFFFAOYSA-N |
|---|
| PubChem CID | 86708564 |
|---|
Chemical & Physical Properties
| XLogP | 4.5 |
|---|
| Topological polar surface area | 131 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 12 |
|---|
| Rotatable bonds | 10 |
|---|
| Heavy atoms | 46 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,140 |
|---|
![(+/-) 2-((2-Chloro-5-cyano-3-(3-(fluoromethyl)-4-(oxetan-3-yl)piperazin-1-yl)phenyl)amino)-4-(cyclopropyl(4-methoxybenzyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile molecular structure](/img/chemical/86708564.png)