C124H135ClF9N43O9 — CID 159485151
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-chloro-3-(trifluoromethyl)-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-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 159485151) has the molecular formula C124H135ClF9N43O9 and a molecular weight of 2578.17 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-chloro-3-(trifluoromethyl)-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-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
| Compound Name | 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-chloro-3-(trifluoromethyl)-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-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide |
|---|---|
| PubChem CID | 159485151 |
| Molecular Formula | C124H135ClF9N43O9 |
| Molecular Weight | 2578.17 g/mol |
| Exact Mass | 2576.10 |
| IUPAC Name | 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-chloro-3-(trifluoromethyl)-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-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide |
| SMILES | CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(Cl)c3C(F)(F)F)cnc2N)CC1.COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N.Nc1ncc(-c2cc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCOCC3)cc3ccccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 |
| InChI | InChI=1S/C28H31N9O2.C26H29F3N8O2.C25H28F3N9O2.C23H25N9O2.C22H22ClF3N8O/c29-19-7-10-36(11-8-19)22-6-3-9-31-27(22)35-28(38)25-26(30)32-17-21(33-25)24-20-5-2-1-4-18(20)16-23(34-24)37-12-14-39-15-13-37;27-26(28,29)19-4-3-17(36-10-12-39-13-11-36)14-18(19)20-15-33-23(31)22(34-20)25(38)35-24-21(2-1-7-32-24)37-8-5-16(30)6-9-37;26-25(27,28)16-3-4-19(37-10-12-39-13-11-37)34-20(16)17-14-32-22(30)21(33-17)24(38)35-23-18(2-1-7-31-23)36-8-5-15(29)6-9-36;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;1-21(28)5-9-34(10-6-21)14-3-2-7-30-19(14)33-20(35)17-18(27)31-11-13(32-17)16-15(22(24,25)26)12(23)4-8-29-16/h1-6,9,16-17,19H,7-8,10-15,29H2,(H2,30,32)(H,31,35,38);1-4,7,14-16H,5-6,8-13,30H2,(H2,31,33)(H,32,35,38);1-4,7,14-15H,5-6,8-13,29H2,(H2,30,32)(H,31,35,38);3-5,8-9,13H,6-7,10-11,26H2,1-2H3,(H2,25,29)(H,28,31,33);2-4,7-8,11H,5-6,9-10,28H2,1H3,(H2,27,31)(H,30,33,35) |
| InChIKey | LXMHEJXXJHDEAQ-UHFFFAOYSA-N |
| XLogP | 14.12 |
| TPSA | 737.24 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 186 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2578.17 |
| LogP ≤ 5 | 14.12 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 47 |