C121H130F15N43O8 — CID 159022928
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-methylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 159022928) has the molecular formula C121H130F15N43O8 and a molecular weight of 2599.63 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-methylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide.
| Compound Name | 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-methylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide |
|---|---|
| PubChem CID | 159022928 |
| Molecular Formula | C121H130F15N43O8 |
| Molecular Weight | 2599.63 g/mol |
| Exact Mass | 2598.08 |
| IUPAC Name | 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-methylquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide |
| SMILES | CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CC(F)(F)C4)ccc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)ccc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1.COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C(F)(F)F.Cc1nc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c2cc(F)ccc2n1 |
| InChI | InChI=1S/C26H30F3N9O2.C25H26F5N9O.C25H26FN9O.C23H25F3N8O2.C22H23F3N8O2/c1-25(31)6-9-37(10-7-25)18-3-2-8-32-23(18)36-24(39)21-22(30)33-15-17(34-21)20-16(26(27,28)29)4-5-19(35-20)38-11-13-40-14-12-38;1-23(32)6-9-38(10-7-23)16-3-2-8-33-21(16)37-22(40)19-20(31)34-11-15(35-19)18-14(25(28,29)30)4-5-17(36-18)39-12-24(26,27)13-39;1-14-31-17-6-5-15(26)12-16(17)20(32-14)18-13-30-22(27)21(33-18)24(36)34-23-19(4-3-9-29-23)35-10-7-25(2,28)8-11-35;1-22(28)6-10-34(11-7-22)14-4-3-8-30-20(14)33-21(35)18-19(27)31-12-13(32-18)17-16(23(24,25)26)15(36-2)5-9-29-17;1-21(27)6-10-33(11-7-21)14-4-2-9-29-19(14)32-20(34)17-18(26)30-12-13(31-17)16-15(5-3-8-28-16)35-22(23,24)25/h2-5,8,15H,6-7,9-14,31H2,1H3,(H2,30,33)(H,32,36,39);2-5,8,11H,6-7,9-10,12-13,32H2,1H3,(H2,31,34)(H,33,37,40);3-6,9,12-13H,7-8,10-11,28H2,1-2H3,(H2,27,30)(H,29,34,36);3-5,8-9,12H,6-7,10-11,28H2,1-2H3,(H2,27,31)(H,30,33,35);2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34) |
| InChIKey | JTXQMASHCMFPJW-UHFFFAOYSA-N |
| XLogP | 15.68 |
| TPSA | 726.76 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 187 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2599.63 |
| LogP ≤ 5 | 15.68 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 46 |