C142H198N30O16S6 — CID 157450988
5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 157450988) has the molecular formula C142H198N30O16S6 and a molecular weight of 2773.74 g/mol. Its IUPAC name is 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
| Compound Name | 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide |
|---|---|
| PubChem CID | 157450988 |
| Molecular Formula | C142H198N30O16S6 |
| Molecular Weight | 2773.74 g/mol |
| Exact Mass | 2771.39 |
| IUPAC Name | 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide |
| SMILES | CCNC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C)s1.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(N)=O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@@H](C)C(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NCC2CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)NC2CC(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@H](C)C(C)(C)O)nc1C(=O)N1CCC[C@@H]1C |
| InChI | InChI=1S/C26H37N5O3S.C25H33N5O3S.C25H35N5O3S.C24H35N5O3S.C22H31N5O2S.C20H27N5O2S/c1-14-12-20(28-16(3)18-9-10-18)27-13-19(14)22-21(25(33)31-11-7-8-15(31)2)30-24(35-22)23(32)29-17(4)26(5,6)34;1-13-9-20(27-15(3)16-6-7-16)26-12-19(13)22-21(25(33)30-8-4-5-14(30)2)29-24(34-22)23(32)28-17-10-18(31)11-17;1-15-11-19(26-12-17-8-5-9-17)27-13-18(15)21-20(24(32)30-10-6-7-16(30)2)29-23(34-21)22(31)28-14-25(3,4)33;1-13(2)26-18-11-14(3)17(12-25-18)20-19(23(31)29-10-8-9-15(29)4)28-22(33-20)21(30)27-16(5)24(6,7)32;1-7-23-19(28)20-25-17(21(29)27-10-8-9-14(27)3)18(30-20)15-12-24-16(11-13(15)2)26-22(4,5)6;1-11-9-14(24-20(3,4)5)22-10-13(11)16-15(23-18(28-16)17(21)26)19(27)25-8-6-7-12(25)2/h12-13,15-18,34H,7-11H2,1-6H3,(H,27,28)(H,29,32);9,12,14-18,31H,4-8,10-11H2,1-3H3,(H,26,27)(H,28,32);11,13,16-17,33H,5-10,12,14H2,1-4H3,(H,26,27)(H,28,31);11-13,15-16,32H,8-10H2,1-7H3,(H,25,26)(H,27,30);11-12,14H,7-10H2,1-6H3,(H,23,28)(H,24,26);9-10,12H,6-8H2,1-5H3,(H2,21,26)(H,22,24)/t15-,16+,17+;14-,15+,17?,18?;16-;15-,16-;14-;12-/m000000/s1 |
| InChIKey | BSULFJPNIPMEAP-SKRYUKHTSA-N |
| XLogP | 23.08 |
| TPSA | 618.23 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2773.74 |
| LogP ≤ 5 | 23.08 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 40 |