C129H184FN25O15S5 — CID 159352068
5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-2-fluoro-2-methylcyclohexyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 159352068) has the molecular formula C129H184FN25O15S5 and a molecular weight of 2504.38 g/mol. Its IUPAC name is 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-2-fluoro-2-methylcyclohexyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
| Compound Name | 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-2-fluoro-2-methylcyclohexyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide |
|---|---|
| PubChem CID | 159352068 |
| Molecular Formula | C129H184FN25O15S5 |
| Molecular Weight | 2504.38 g/mol |
| Exact Mass | 2502.30 |
| IUPAC Name | 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-2-fluoro-2-methylcyclohexyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide |
| SMILES | Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@@H]2CCCCC2(C)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C |
| InChI | InChI=1S/C27H38FN5O3S.C27H39N5O3S.C26H37N5O3S.C25H35N5O3S.C24H35N5O3S/c1-16-13-20(31-19-10-6-7-11-27(19,5)28)29-14-18(16)22-21(25(35)33-12-8-9-17(33)2)32-24(37-22)23(34)30-15-26(3,4)36;1-17-14-21(30-19-11-6-5-7-12-19)28-15-20(17)23-22(26(34)32-13-9-8-10-18(32)2)31-25(36-23)24(33)29-16-27(3,4)35;1-15-12-20(29-17(3)18-9-10-18)27-13-19(15)22-21(25(33)31-11-7-6-8-16(31)2)30-24(35-22)23(32)28-14-26(4,5)34;1-14-11-19(28-16(3)17-8-9-17)26-12-18(14)21-20(24(32)30-10-6-7-15(30)2)29-23(34-21)22(31)27-13-25(4,5)33;1-14(2)27-18-11-15(3)17(12-25-18)20-19(23(31)29-10-8-7-9-16(29)4)28-22(33-20)21(30)26-13-24(5,6)32/h13-14,17,19,36H,6-12,15H2,1-5H3,(H,29,31)(H,30,34);14-15,18-19,35H,5-13,16H2,1-4H3,(H,28,30)(H,29,33);12-13,16-18,34H,6-11,14H2,1-5H3,(H,27,29)(H,28,32);11-12,15-17,33H,6-10,13H2,1-5H3,(H,26,28)(H,27,31);11-12,14,16,32H,7-10,13H2,1-6H3,(H,25,27)(H,26,30)/t17-,19+,27?;18-;16-,17-;15-,16-;16-/m00000/s1 |
| InChIKey | LHLIYIIYBZEWEK-VJBQOUODSA-N |
| XLogP | 21.43 |
| TPSA | 537.25 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2504.38 |
| LogP ≤ 5 | 21.43 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 35 |