C111H120F6N42O8 — CID 158329645
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-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-cyano-3-fluoro-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 158329645) has the molecular formula C111H120F6N42O8 and a molecular weight of 2284.45 g/mol. Its IUPAC name is 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-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-cyano-3-fluoro-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide.
| Compound Name | 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-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-cyano-3-fluoro-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide |
|---|---|
| PubChem CID | 158329645 |
| Molecular Formula | C111H120F6N42O8 |
| Molecular Weight | 2284.45 g/mol |
| Exact Mass | 2283.02 |
| IUPAC Name | 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-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-cyano-3-fluoro-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide |
| SMILES | CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C#N)ccc3F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C#N)cnc2N)CC1.CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1.COCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3F)cnc2N)CC1.COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F |
| InChI | InChI=1S/C23H25F3N8O2.C22H22FN9O.2C22H25FN8O2.C22H23N9O/c1-2-22(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;1-22(26)6-9-32(10-7-22)16-3-2-8-27-20(16)31-21(33)18-19(25)28-12-15(30-18)17-14(23)5-4-13(11-24)29-17;1-22(25)6-10-31(11-7-22)14-4-3-8-27-20(14)30-21(32)18-19(24)28-12-13(29-18)17-16(23)15(33-2)5-9-26-17;1-33-13-22(25)6-10-31(11-7-22)16-5-3-9-27-20(16)30-21(32)18-19(24)28-12-15(29-18)17-14(23)4-2-8-26-17;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/h3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);2-5,8,12H,6-7,9-10,26H2,1H3,(H2,25,28)(H,27,31,33);3-5,8-9,12H,6-7,10-11,25H2,1-2H3,(H2,24,28)(H,27,30,32);2-5,8-9,12H,6-7,10-11,13,25H2,1H3,(H2,24,28)(H,27,30,32);2-5,8-9,13H,6-7,10-11,25H2,1H3,(H2,24,28)(H,27,30,32) |
| InChIKey | GPVRMCDGYMTDQF-UHFFFAOYSA-N |
| XLogP | 11.51 |
| TPSA | 754.97 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2284.45 |
| LogP ≤ 5 | 11.51 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 45 |