WZ8
Summary
Name: | 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine |
Formula: | C23 H28 N8 O |
Formal charge: | 0 |
Formula weight: | 432.521 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-[(3~{R})-piperidin-3-yl]oxy-8-propan-2-yl-~{N}-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)/t18-/m1/s1 |
InChIKey | InChI | 1.06 | LSGRZENCFIIHNV-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cnn2c(NCc3ccccc3n4cccn4)nc(O[C@@H]5CCCNC5)nc12 |
SMILES | CACTVS | 3.385 | CC(C)c1cnn2c(NCc3ccccc3n4cccn4)nc(O[CH]5CCCNC5)nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1cnn2c1nc(nc2NCc3ccccc3n4cccn4)O[C@@H]5CCCNC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1cnn2c1nc(nc2NCc3ccccc3n4cccn4)OC5CCCNC5 |