1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;bis(3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine);3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
C138H105F34N27O9 — CID 157071658
Data last refreshed: (MolForge compound catalog, from PubChem)
About 1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;bis(3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine);3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;bis(3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine);3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine (PubChem CID 157071658) has the molecular formula C138H105F34N27O9 and a molecular weight of 2931.47 g/mol. Its IUPAC name is 1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;bis(3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine);3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine.
Molecular Properties
| Compound Name | 1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;bis(3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine);3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine |
|---|---|
| PubChem CID | 157071658 |
| Molecular Formula | C138H105F34N27O9 |
| Molecular Weight | 2931.47 g/mol |
| Exact Mass | 2929.80 |
| IUPAC Name | 1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;bis(3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine);3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine |
| SMILES | CC(F)(F)c1nc(C#N)c2ccc(-c3ccc(OCC(F)(F)F)nc3)cn12.CC(F)(F)c1ncc2ncc(-c3ccc(C(F)(F)F)cc3)cn12.CC(F)(F)c1ncc2ncc(-c3ccc(C4(C#N)CC4)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1ccc2c(C#N)nc(C(C)(F)F)n2c1.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)ncc2cn1.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)ncc2cn1.COc1cc(C2(C#N)CC2)ccc1-c1cnc2cnc(C(C)(F)F)n2c1.Cc1nc(C(C)(F)F)n2cc(-c3ccc(OC(F)(F)F)cc3)cnc12 |
| InChI | InChI=1S/C19H14F5N3O2.C19H16F2N4O.C18H14F2N4.C17H11F5N4O.2C17H14F5N3O2.C16H12F5N3O.C15H10F5N3/c1-18(20,21)17-26-15(8-25)16-6-3-11(9-27(16)17)14-5-4-13(29-19(22,23)24)7-12(14)10-28-2;1-18(20,21)17-24-9-16-23-8-12(10-25(16)17)14-4-3-13(7-15(14)26-2)19(11-22)5-6-19;1-17(19,20)16-23-9-15-22-8-13(10-24(15)16)12-2-4-14(5-3-12)18(11-21)6-7-18;1-16(18,19)15-25-12(6-23)13-4-2-11(8-26(13)15)10-3-5-14(24-7-10)27-9-17(20,21)22;2*1-16(18,19)15-24-7-11-6-23-14(8-25(11)15)13-4-3-12(27-17(20,21)22)5-10(13)9-26-2;1-9-13-22-7-11(8-24(13)14(23-9)15(2,17)18)10-3-5-12(6-4-10)25-16(19,20)21;1-14(16,17)13-22-7-12-21-6-10(8-23(12)13)9-2-4-11(5-3-9)15(18,19)20/h3-7,9H,10H2,1-2H3;3-4,7-10H,5-6H2,1-2H3;2-5,8-10H,6-7H2,1H3;2-5,7-8H,9H2,1H3;2*3-8H,9H2,1-2H3;3-8H,1-2H3;2-8H,1H3 |
| InChIKey | ACMSYCGUOBDFMX-UHFFFAOYSA-N |
| XLogP | 35.83 |
| TPSA | 406.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 208 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2931.47 |
| LogP ≤ 5 | 35.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |
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Sources
- PubChem CID 157071658 — identifiers, structure, computed properties (public domain)
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