C139H153F13N52O10S — CID 158630429
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-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazine-2-carboxamide (PubChem CID 158630429) has the molecular formula C139H153F13N52O10S and a molecular weight of 2991.15 g/mol. Its IUPAC name is 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-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazine-2-carboxamide.
| Compound Name | 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-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazine-2-carboxamide |
|---|---|
| PubChem CID | 158630429 |
| Molecular Formula | C139H153F13N52O10S |
| Molecular Weight | 2991.15 g/mol |
| Exact Mass | 2989.26 |
| IUPAC Name | 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-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazine-2-carboxamide |
| SMILES | CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)ncc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(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.Nc1ncc(-c2csc(N3CCOCC3)n2)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 |
| InChI | InChI=1S/C25H29F3N10O2.C25H26FN9O.C23H25F3N8O2.C22H23F3N8O2.C22H23F3N8O.C22H27N9O2S/c1-24(30)4-7-37(8-5-24)17-3-2-6-31-21(17)36-22(39)19-20(29)32-14-16(34-19)18-15(25(26,27)28)13-33-23(35-18)38-9-11-40-12-10-38;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;1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16;23-14-3-6-30(7-4-14)17-2-1-5-25-20(17)29-21(32)18-19(24)26-12-15(27-18)16-13-34-22(28-16)31-8-10-33-11-9-31/h2-3,6,13-14H,4-5,7-12,30H2,1H3,(H2,29,32)(H,31,36,39);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);2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34);1-2,5,12-14H,3-4,6-11,23H2,(H2,24,26)(H,25,29,32) |
| InChIKey | HZCWWFPXAANFDH-UHFFFAOYSA-N |
| XLogP | 16.21 |
| TPSA | 884.82 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 57 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 215 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2991.15 |
| LogP ≤ 5 | 16.21 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 57 |