C86H91ClF4N38O5 — CID 163787774
3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide (PubChem CID 163787774) has the molecular formula C86H91ClF4N38O5 and a molecular weight of 1848.38 g/mol. Its IUPAC name is 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide.
| Compound Name | 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide |
|---|---|
| PubChem CID | 163787774 |
| Molecular Formula | C86H91ClF4N38O5 |
| Molecular Weight | 1848.38 g/mol |
| Exact Mass | 1846.77 |
| IUPAC Name | 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide |
| SMILES | CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C#N)ncc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C(N)=O)ncc3F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N)ncc3Cl)cnc2N)CC1.Nc1ncc(-c2cccc3[nH]ccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 |
| InChI | InChI=1S/C23H24N8O.C22H21F3N10O.C21H23FN10O2.C20H23ClN10O/c24-14-7-11-31(12-8-14)19-5-2-9-27-22(19)30-23(32)20-21(25)28-13-18(29-20)15-3-1-4-17-16(15)6-10-26-17;1-21(28)4-7-35(8-5-21)14-3-2-6-29-19(14)34-20(36)17-18(27)31-11-13(32-17)16-12(22(23,24)25)10-30-15(9-26)33-16;1-21(25)4-7-32(8-5-21)13-3-2-6-26-18(13)31-20(34)15-16(23)27-10-12(29-15)14-11(22)9-28-19(30-14)17(24)33;1-20(24)4-7-31(8-5-20)13-3-2-6-25-17(13)30-18(32)15-16(22)26-10-12(28-15)14-11(21)9-27-19(23)29-14/h1-6,9-10,13-14,26H,7-8,11-12,24H2,(H2,25,28)(H,27,30,32);2-3,6,10-11H,4-5,7-8,28H2,1H3,(H2,27,31)(H,29,34,36);2-3,6,9-10H,4-5,7-8,25H2,1H3,(H2,23,27)(H2,24,33)(H,26,31,34);2-3,6,9-10H,4-5,7-8,24H2,1H3,(H2,22,26)(H2,23,27,29)(H,25,30,32) |
| InChIKey | MUAPJUDANVEAPJ-UHFFFAOYSA-N |
| XLogP | 7.59 |
| TPSA | 678.23 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 134 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1848.38 |
| LogP ≤ 5 | 7.59 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 37 |