C142H155F12N51O10 — CID 162100156
3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;bis(3-amino-N-[3-(4-amino-4-ethylpiperidin-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-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 162100156) has the molecular formula C142H155F12N51O10 and a molecular weight of 2964.12 g/mol. Its IUPAC name is 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;bis(3-amino-N-[3-(4-amino-4-ethylpiperidin-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-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
| Compound Name | 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;bis(3-amino-N-[3-(4-amino-4-ethylpiperidin-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-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide |
|---|---|
| PubChem CID | 162100156 |
| Molecular Formula | C142H155F12N51O10 |
| Molecular Weight | 2964.12 g/mol |
| Exact Mass | 2962.30 |
| IUPAC Name | 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;bis(3-amino-N-[3-(4-amino-4-ethylpiperidin-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-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide |
| SMILES | CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C#N)cnc2N)CC1.CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1.CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1.CCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1.COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC[C@@H](C1)C2N |
| InChI | InChI=1S/C27H30F3N9O2.C24H27F3N8O.2C23H25F3N8O2.C23H25N9O2.C22H23N9O/c28-27(29,30)17-5-6-20(38-8-10-41-11-9-38)36-22(17)18-12-34-24(32)23(35-18)26(40)37-25-19(2-1-7-33-25)39-13-15-3-4-16(14-39)21(15)31;1-2-7-23(29)8-12-35(13-9-23)17-6-4-11-31-21(17)34-22(36)19-20(28)32-14-16(33-19)18-15(24(25,26)27)5-3-10-30-18;2*1-2-22(28)7-11-34(12-8-22)15-5-3-10-30-20(15)33-21(35)18-19(27)31-13-14(32-18)17-16(6-4-9-29-17)36-23(24,25)26;1-23(26)6-10-32(11-7-23)16-4-3-8-28-21(16)31-22(33)19-20(25)29-13-15(30-19)18-14(12-24)17(34-2)5-9-27-18;1-22(25)6-10-31(11-7-22)16-5-3-9-27-20(16)30-21(32)18-19(24)28-13-15(29-18)17-14(12-23)4-2-8-26-17/h1-2,5-7,12,15-16,21H,3-4,8-11,13-14,31H2,(H2,32,34)(H,33,37,40);3-6,10-11,14H,2,7-9,12-13,29H2,1H3,(H2,28,32)(H,31,34,36);2*3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);3-5,8-9,13H,6-7,10-11,26H2,1-2H3,(H2,25,29)(H,28,31,33);2-5,8-9,13H,6-7,10-11,25H2,1H3,(H2,24,28)(H,27,30,32)/t15-,16+,21?;;;;; |
| InChIKey | ZETSERNHGRYYAX-KBYJJNMISA-N |
| XLogP | 17.35 |
| TPSA | 903.38 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 215 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2964.12 |
| LogP ≤ 5 | 17.35 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 55 |