QNK
Summary
| Name: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine |
| Formula: | C26 H32 F2 N6 |
| Formal charge: | 0 |
| Formula weight: | 466.569 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H32F2N6/c1-17-11-21-20(4-6-23-22(21)13-30-32-23)25(34(17)16-26(28)7-8-26)24-5-3-18(12-29-24)31-19-14-33(15-19)10-2-9-27/h3-6,12-13,17,19,25,31H,2,7-11,14-16H2,1H3,(H,30,32)/t17-,25+/m1/s1 |
| InChIKey | InChI | 1.03 | PHBYNJGKPFJBPE-NSYGIPOTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1Cc2c(ccc3n[nH]cc23)[C@H](N1CC4(F)CC4)c5ccc(NC6CN(CCCF)C6)cn5 |
| SMILES | CACTVS | 3.385 | C[CH]1Cc2c(ccc3n[nH]cc23)[CH](N1CC4(F)CC4)c5ccc(NC6CN(CCCF)C6)cn5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cn5)NC6CN(C6)CCCF |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1Cc2c(ccc3c2c[nH]n3)C(N1CC4(CC4)F)c5ccc(cn5)NC6CN(C6)CCCF |
