C107H99BrCl3F18N37O6S6 — CID 159224271
5-amino-3-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;5-amino-3-chloro-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carbonitrile;5-bromo-6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N-[[1-[6-amino-3-carbamoyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-pyridin-2-ylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[6-amino-3-cyano-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-pyridin-2-ylpiperidin-4-yl]methyl]carbamate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 159224271) has the molecular formula C107H99BrCl3F18N37O6S6 and a molecular weight of 2719.85 g/mol. Its IUPAC name is 5-amino-3-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;5-amino-3-chloro-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carbonitrile;5-bromo-6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N-[[1-[6-amino-3-carbamoyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-pyridin-2-ylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[6-amino-3-cyano-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-pyridin-2-ylpiperidin-4-yl]methyl]carbamate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.
| Compound Name | 5-amino-3-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;5-amino-3-chloro-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carbonitrile;5-bromo-6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N-[[1-[6-amino-3-carbamoyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-pyridin-2-ylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[6-amino-3-cyano-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-pyridin-2-ylpiperidin-4-yl]methyl]carbamate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine |
|---|---|
| PubChem CID | 159224271 |
| Molecular Formula | C107H99BrCl3F18N37O6S6 |
| Molecular Weight | 2719.85 g/mol |
| Exact Mass | 2715.49 |
| IUPAC Name | 5-amino-3-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;5-amino-3-chloro-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carbonitrile;5-bromo-6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N-[[1-[6-amino-3-carbamoyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-pyridin-2-ylpiperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[6-amino-3-cyano-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-pyridin-2-ylpiperidin-4-yl]methyl]carbamate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine |
| SMILES | CC(C)(C)OC(=O)NCC1(c2ccccn2)CCN(c2nc(N)c(Sc3cccnc3C(F)(F)F)nc2C#N)CC1.CC(C)(C)OC(=O)NCC1(c2ccccn2)CCN(c2nc(N)c(Sc3cccnc3C(F)(F)F)nc2C(N)=O)CC1.N#Cc1nc(Sc2cccnc2C(F)(F)F)c(N)nc1Cl.NCC1(c2ccccn2)CCN(c2nc(N)c(Sc3cccnc3C(F)(F)F)nc2C(N)=O)CC1.Nc1nc(Cl)c(Br)nc1Sc1cccnc1C(F)(F)F.Nc1nc(Cl)cnc1Sc1cccnc1C(F)(F)F |
| InChI | InChI=1S/C27H31F3N8O3S.C27H29F3N8O2S.C22H23F3N8OS.C11H5ClF3N5S.C10H5BrClF3N4S.C10H6ClF3N4S/c1-25(2,3)41-24(40)35-15-26(17-8-4-5-11-33-17)9-13-38(14-10-26)22-18(21(32)39)36-23(20(31)37-22)42-16-7-6-12-34-19(16)27(28,29)30;1-25(2,3)40-24(39)35-16-26(19-8-4-5-11-33-19)9-13-38(14-10-26)22-17(15-31)36-23(21(32)37-22)41-18-7-6-12-34-20(18)27(28,29)30;23-22(24,25)16-13(4-3-9-30-16)35-20-17(27)32-19(15(31-20)18(28)34)33-10-6-21(12-26,7-11-33)14-5-1-2-8-29-14;12-8-5(4-16)19-10(9(17)20-8)21-6-2-1-3-18-7(6)11(13,14)15;11-6-7(12)19-8(16)9(18-6)20-4-2-1-3-17-5(4)10(13,14)15;11-6-4-17-9(8(15)18-6)19-5-2-1-3-16-7(5)10(12,13)14/h4-8,11-12H,9-10,13-15H2,1-3H3,(H2,31,37)(H2,32,39)(H,35,40);4-8,11-12H,9-10,13-14,16H2,1-3H3,(H2,32,37)(H,35,39);1-5,8-9H,6-7,10-12,26H2,(H2,27,32)(H2,28,34);1-3H,(H2,17,20);1-3H,(H2,16,19);1-4H,(H2,15,18) |
| InChIKey | KSBXXWJFVMFRIQ-UHFFFAOYSA-N |
| XLogP | 22.21 |
| TPSA | 672.97 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 178 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2719.85 |
| LogP ≤ 5 | 22.21 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 45 |