C114H127F11N40O9 — CID 157483601
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(methoxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 157483601) has the molecular formula C114H127F11N40O9 and a molecular weight of 2410.52 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(methoxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-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-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(methoxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide |
|---|---|
| PubChem CID | 157483601 |
| Molecular Formula | C114H127F11N40O9 |
| Molecular Weight | 2410.52 g/mol |
| Exact Mass | 2409.05 |
| IUPAC Name | 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(methoxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide |
| SMILES | CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(CO)c3C(F)(F)F)cnc2N)CC1.CC1CN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CCC1N.CCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F.COCc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C(F)(F)F.Cc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F |
| InChI | InChI=1S/C24H27F3N8O2.C23H25F3N8O2.C23H27FN8O2.C22H23F3N8O2.C22H25FN8O/c1-23(29)6-10-35(11-7-23)16-4-3-8-31-21(16)34-22(36)19-20(28)32-12-15(33-19)18-17(24(25,26)27)14(13-37-2)5-9-30-18;1-22(28)5-9-34(10-6-22)15-3-2-7-30-20(15)33-21(36)18-19(27)31-11-14(32-18)17-16(23(24,25)26)13(12-35)4-8-29-17;1-3-34-16-6-10-27-18(17(16)24)14-13-29-20(25)19(30-14)22(33)31-21-15(5-4-9-28-21)32-11-7-23(2,26)8-12-32;1-12-11-33(9-6-13(12)26)15-4-2-8-29-20(15)32-21(34)18-19(27)30-10-14(31-18)17-16(5-3-7-28-17)35-22(23,24)25;1-13-5-9-26-17(16(13)23)14-12-28-19(24)18(29-14)21(32)30-20-15(4-3-8-27-20)31-10-6-22(2,25)7-11-31/h3-5,8-9,12H,6-7,10-11,13,29H2,1-2H3,(H2,28,32)(H,31,34,36);2-4,7-8,11,35H,5-6,9-10,12,28H2,1H3,(H2,27,31)(H,30,33,36);4-6,9-10,13H,3,7-8,11-12,26H2,1-2H3,(H2,25,29)(H,28,31,33);2-5,7-8,10,12-13H,6,9,11,26H2,1H3,(H2,27,30)(H,29,32,34);3-5,8-9,12H,6-7,10-11,25H2,1-2H3,(H2,24,28)(H,27,30,32) |
| InChIKey | BWLFCZKZPUPGNT-UHFFFAOYSA-N |
| XLogP | 13.84 |
| TPSA | 727.62 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 174 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2410.52 |
| LogP ≤ 5 | 13.84 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 44 |