C131H153ClF18N38O3S8 — CID 159949799
5-amino-3-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;6-(4,4-dimethylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[4-ethyl-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 159949799) has the molecular formula C131H153ClF18N38O3S8 and a molecular weight of 2941.88 g/mol. Its IUPAC name is 5-amino-3-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;6-(4,4-dimethylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[4-ethyl-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.
| Compound Name | 5-amino-3-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;6-(4,4-dimethylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[4-ethyl-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine |
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| PubChem CID | 159949799 |
| Molecular Formula | C131H153ClF18N38O3S8 |
| Molecular Weight | 2941.88 g/mol |
| Exact Mass | 2939.02 |
| IUPAC Name | 5-amino-3-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;6-(4,4-dimethylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[4-ethyl-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine |
| SMILES | CC1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.CCC1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.CCC1(C)CCN(c2cnc(Sc3cccnc3Cl)c(N)n2)CC1.CCC1(c2ccccn2)CCN(c2nc(N)c(Sc3cccnc3C(F)(F)F)nc2C(N)=O)CC1.CCC1(c2cscn2)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.CC[C@@]1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)C[C@@H]1O.CC[C@]1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)C[C@H]1O |
| InChI | InChI=1S/C23H24F3N7OS.C20H21F3N6S2.2C18H22F3N5OS.C18H22F3N5S.C17H22ClN5S.C17H20F3N5S/c1-2-22(15-7-3-4-10-29-15)8-12-33(13-9-22)20-16(19(28)34)31-21(18(27)32-20)35-14-6-5-11-30-17(14)23(24,25)26;1-2-19(14-11-30-12-27-14)5-8-29(9-6-19)15-10-26-18(17(24)28-15)31-13-4-3-7-25-16(13)20(21,22)23;2*1-3-17(2)6-8-26(10-12(17)27)13-9-24-16(15(22)25-13)28-11-5-4-7-23-14(11)18(19,20)21;1-3-17(2)6-9-26(10-7-17)13-11-24-16(15(22)25-13)27-12-5-4-8-23-14(12)18(19,20)21;1-3-17(2)6-9-23(10-7-17)13-11-21-16(15(19)22-13)24-12-5-4-8-20-14(12)18;1-16(2)5-8-25(9-6-16)12-10-23-15(14(21)24-12)26-11-4-3-7-22-13(11)17(18,19)20/h3-7,10-11H,2,8-9,12-13H2,1H3,(H2,27,32)(H2,28,34);3-4,7,10-12H,2,5-6,8-9H2,1H3,(H2,24,28);2*4-5,7,9,12,27H,3,6,8,10H2,1-2H3,(H2,22,25);4-5,8,11H,3,6-7,9-10H2,1-2H3,(H2,22,25);4-5,8,11H,3,6-7,9-10H2,1-2H3,(H2,19,22);3-4,7,10H,5-6,8-9H2,1-2H3,(H2,21,24)/t;;2*12-,17-;;;/m..10.../s1 |
| InChIKey | OBYPJUDMGQZQFH-VVJGRHDBSA-N |
| XLogP | 29.48 |
| TPSA | 584.84 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2941.88 |
| LogP ≤ 5 | 29.48 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 48 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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