OZN
Summary
| Name: | 2-[4-[4-[[(6Z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1H-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-N,N-dimethyl-ethanamide |
| Formula: | C25 H31 Cl N9 O |
| Formal charge: | 0 |
| Formula weight: | 509.026 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-[4-[4-[[(6Z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1H-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-N,N-dimethyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H31ClN9O/c1-16-23(17(2)35(31-16)18-8-11-33(12-9-18)15-22(36)32(3)4)29-25-27-14-20(26)24(30-25)19-13-28-34-10-6-5-7-21(19)34/h5-7,10,13-14,18H,8-9,11-12,15H2,1-4H3,(H2,27,29,30)/b24-19- |
| InChIKey | InChI | 1.03 | AMADJQZSXUFWNT-CLCOLTQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)CN1CCC(CC1)n2nc(C)c(NC3=NC=C(Cl)\C(N3)=C4/C=Nn5ccccc45)c2C |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)CN1CCC(CC1)n2nc(C)c(NC3=NC=C(Cl)C(N3)=C4C=Nn5ccccc45)c2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(n(n1)C2CCN(CC2)CC(=O)N(C)C)C)NC3=NC=C(/C(=C/4\C=N[N]5=C4C=CC=C5)/N3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(n(n1)C2CCN(CC2)CC(=O)N(C)C)C)NC3=NC=C(C(=C4C=N[N]5=C4C=CC=C5)N3)Cl |
