C121H171N25O16S5 — CID 158923693
5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxycyclopentyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 158923693) has the molecular formula C121H171N25O16S5 and a molecular weight of 2392.19 g/mol. Its IUPAC name is 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxycyclopentyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone.
| Compound Name | 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxycyclopentyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone |
|---|---|
| PubChem CID | 158923693 |
| Molecular Formula | C121H171N25O16S5 |
| Molecular Weight | 2392.19 g/mol |
| Exact Mass | 2390.19 |
| IUPAC Name | 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxycyclopentyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone |
| SMILES | Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC[C@@H](O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NC2CCCC2O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H](C)C(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H](C)CO)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H]2COC[C@@H]2O)nc1C(=O)N1CCC[C@@H]1C |
| InChI | InChI=1S/C25H35N5O3S.C25H37N5O3S.C24H33N5O4S.C24H33N5O3S.C23H33N5O3S/c1-14-12-19(29-25(3,4)5)26-13-16(14)21-20(24(33)30-11-7-8-15(30)2)28-23(34-21)22(32)27-17-9-6-10-18(17)31;1-14-12-18(29-24(4,5)6)26-13-17(14)20-19(23(32)30-11-9-10-15(30)2)28-22(34-20)21(31)27-16(3)25(7,8)33;1-13-9-18(28-24(3,4)5)25-10-15(13)20-19(23(32)29-8-6-7-14(29)2)27-22(34-20)21(31)26-16-11-33-12-17(16)30;1-14-11-18(27-24(3,4)5)25-12-17(14)20-19(22(31)29-9-6-7-15(29)2)26-21(33-20)23(32)28-10-8-16(30)13-28;1-13-10-17(27-23(4,5)6)24-11-16(13)19-18(22(31)28-9-7-8-15(28)3)26-21(32-19)20(30)25-14(2)12-29/h12-13,15,17-18,31H,6-11H2,1-5H3,(H,26,29)(H,27,32);12-13,15-16,33H,9-11H2,1-8H3,(H,26,29)(H,27,31);9-10,14,16-17,30H,6-8,11-12H2,1-5H3,(H,25,28)(H,26,31);11-12,15-16,30H,6-10,13H2,1-5H3,(H,25,27);10-11,14-15,29H,7-9,12H2,1-6H3,(H,24,27)(H,25,30)/t15-,17?,18?;15-,16+;14-,16-,17-;15-,16+;14-,15+/m00001/s1 |
| InChIKey | JIDWTAGOWMIJLP-QRKBLQARSA-N |
| XLogP | 18.08 |
| TPSA | 537.69 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2392.19 |
| LogP ≤ 5 | 18.08 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 36 |