A1IUK
1-[2-[5-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one
| Created: | 2024-11-20 |
| Last modified: | 2025-02-05 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 54 |
| Chiral Atom Count | 0 |
| Bond Count | 58 |
| Aromatic Bond Count | 22 |
Chemical Component Summary | |
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| Name | 1-[2-[5-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one |
| Systematic Name (OpenEye OEToolkits) | 1-[2-[5-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one |
| Formula | C23 H19 F4 N7 O |
| Molecular Weight | 485.437 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | CCC(=O)N1Cc2nc(n(c3ccncn3)c2C1)c4cc(c(F)cc4F)c5cnn(C(F)F)c5C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1Cc2c(n(c(n2)c3cc(c(cc3F)F)c4cnn(c4C)C(F)F)c5ccncn5)C1 |
| Canonical SMILES | CACTVS | 3.385 | CCC(=O)N1Cc2nc(n(c3ccncn3)c2C1)c4cc(c(F)cc4F)c5cnn(C(F)F)c5C |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1Cc2c(n(c(n2)c3cc(c(cc3F)F)c4cnn(c4C)C(F)F)c5ccncn5)C1 |
| InChI | InChI | 1.06 | InChI=1S/C23H19F4N7O/c1-3-21(35)32-9-18-19(10-32)33(20-4-5-28-11-29-20)22(31-18)14-6-13(16(24)7-17(14)25)15-8-30-34(12(15)2)23(26)27/h4-8,11,23H,3,9-10H2,1-2H3 |
| InChIKey | InChI | 1.06 | CSKGLPHEWSYGAQ-UHFFFAOYSA-N |
