C105H137F11N20O12S4 — CID 158186347
5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (PubChem CID 158186347) has the molecular formula C105H137F11N20O12S4 and a molecular weight of 2208.62 g/mol. Its IUPAC name is 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.
| Compound Name | 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide |
|---|---|
| PubChem CID | 158186347 |
| Molecular Formula | C105H137F11N20O12S4 |
| Molecular Weight | 2208.62 g/mol |
| Exact Mass | 2206.94 |
| IUPAC Name | 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3-fluoro-3-methylcyclobutyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(2-fluoro-2-methylspiro[3.3]heptan-6-yl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide |
| SMILES | CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCC(F)(F)C3)c(C(F)(F)F)c2)s1.Cc1cc(NC2CC(C)(F)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CC3(C2)CC(C)(F)C3)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1 |
| InChI | InChI=1S/C28H37F2N5O3S.C26H31F6N5O3S.C26H36FN5O3S.C25H33F2N5O3S/c1-16-9-20(33-18-10-28(11-18)13-27(4,30)14-28)31-12-19(16)22-21(25(37)35-7-5-17(29)6-8-35)34-24(39-22)23(36)32-15-26(2,3)38;1-24(2,40)13-34-21(38)22-36-18(23(39)37-8-5-15(27)6-9-37)19(41-22)14-10-17(26(30,31)32)20(33-12-14)35-16-4-3-7-25(28,29)11-16;1-16-13-20(30-18-7-5-4-6-8-18)28-14-19(16)22-21(25(34)32-11-9-17(27)10-12-32)31-24(36-22)23(33)29-15-26(2,3)35;1-14-9-18(30-16-10-25(4,27)11-16)28-12-17(14)20-19(23(34)32-7-5-15(26)6-8-32)31-22(36-20)21(33)29-13-24(2,3)35/h9,12,17-18,38H,5-8,10-11,13-15H2,1-4H3,(H,31,33)(H,32,36);10,12,15-16,40H,3-9,11,13H2,1-2H3,(H,33,35)(H,34,38);13-14,17-18,35H,4-12,15H2,1-3H3,(H,28,30)(H,29,33);9,12,15-16,35H,5-8,10-11,13H2,1-4H3,(H,28,30)(H,29,33) |
| InChIKey | FZELZZOJOSRSLJ-UHFFFAOYSA-N |
| XLogP | 18.18 |
| TPSA | 429.80 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2208.62 |
| LogP ≤ 5 | 18.18 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 28 |