LHZ
(6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
| Created: | 2019-08-19 |
| Last modified: | 2021-03-01 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 60 |
| Chiral Atom Count | 1 |
| Bond Count | 64 |
| Aromatic Bond Count | 22 |
Chemical Component Summary | |
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| Name | (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one |
| Synonyms | AZD0364 |
| Systematic Name (OpenEye OEToolkits) | (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one |
| Formula | C24 H24 F2 N8 O2 |
| Molecular Weight | 494.497 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | COC[CH]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c(F)c3)c4nc(Nc5ccnn5C)ncc4C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(nc1c2cn3c(n2)C(=O)N(C(C3)COC)Cc4ccc(c(c4)F)F)Nc5ccnn5C |
| Canonical SMILES | CACTVS | 3.385 | COC[C@H]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c(F)c3)c4nc(Nc5ccnn5C)ncc4C |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(nc1c2cn3c(n2)C(=O)N([C@H](C3)COC)Cc4ccc(c(c4)F)F)Nc5ccnn5C |
| InChI | InChI | 1.03 | InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | HVIGNZUDBVLTLU-MRXNPFEDSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 129116690 |
