C114H124ClF10N39O6 — CID 158947042
3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 158947042) has the molecular formula C114H124ClF10N39O6 and a molecular weight of 2361.95 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide.
| Compound Name | 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide |
|---|---|
| PubChem CID | 158947042 |
| Molecular Formula | C114H124ClF10N39O6 |
| Molecular Weight | 2361.95 g/mol |
| Exact Mass | 2360.01 |
| IUPAC Name | 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide |
| SMILES | CC1(C)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C4CC4)ccc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3Cl)cnc2N)CC1.CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1.COc1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)n1 |
| InChI | InChI=1S/C25H27F3N8O.C23H25F3N8O2.C23H25F3N8O.C22H24FN7O.C21H23ClN8O/c1-24(30)8-11-36(12-9-24)18-3-2-10-31-22(18)35-23(37)20-21(29)32-13-17(34-20)19-15(25(26,27)28)6-7-16(33-19)14-4-5-14;1-22(28)7-10-34(11-8-22)15-4-3-9-29-20(15)33-21(35)18-19(27)30-12-14(31-18)17-13(23(24,25)26)5-6-16(32-17)36-2;1-2-22(28)7-11-34(12-8-22)16-6-4-10-30-20(16)33-21(35)18-19(27)31-13-15(32-18)17-14(23(24,25)26)5-3-9-29-17;1-22(2)7-11-30(12-8-22)16-6-4-10-26-20(16)29-21(31)18-19(24)27-13-15(28-18)17-14(23)5-3-9-25-17;1-21(24)6-10-30(11-7-21)15-5-3-9-26-19(15)29-20(31)17-18(23)27-12-14(28-17)16-13(22)4-2-8-25-16/h2-3,6-7,10,13-14H,4-5,8-9,11-12,30H2,1H3,(H2,29,32)(H,31,35,37);3-6,9,12H,7-8,10-11,28H2,1-2H3,(H2,27,30)(H,29,33,35);3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);3-6,9-10,13H,7-8,11-12H2,1-2H3,(H2,24,27)(H,26,29,31);2-5,8-9,12H,6-7,10-11,24H2,1H3,(H2,23,27)(H,26,29,31) |
| InChIKey | JKYKDRBAZFSNRN-UHFFFAOYSA-N |
| XLogP | 16.86 |
| TPSA | 662.91 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 170 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2361.95 |
| LogP ≤ 5 | 16.86 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 40 |