C251H350N50O30S10 — CID 157383020
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;bis(4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide);5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;bis(5-[6-[[(1R)-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-(2-cyclopropylpropan-2-ylamino)-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;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 157383020) has the molecular formula C251H350N50O30S10 and a molecular weight of 4868.55 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;bis(4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide);5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;bis(5-[6-[[(1R)-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-(2-cyclopropylpropan-2-ylamino)-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;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
| Compound Name | 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;bis(4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide);5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;bis(5-[6-[[(1R)-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-(2-cyclopropylpropan-2-ylamino)-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;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide |
|---|---|
| PubChem CID | 157383020 |
| Molecular Formula | C251H350N50O30S10 |
| Molecular Weight | 4868.55 g/mol |
| Exact Mass | 4864.46 |
| IUPAC Name | 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;bis(4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide);5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;bis(5-[6-[[(1R)-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-(2-cyclopropylpropan-2-ylamino)-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;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide |
| SMILES | Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2CCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)NCC2(O)CCC2)nc1C(=O)N1CCC[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](C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C |
| InChI | InChI=1S/4C26H35N5O3S.C26H37N5O3S.2C25H35N5O3S.2C24H35N5O3S.C23H33N5O3S/c2*1-14-11-20(29-15(2)16-5-6-16)27-12-19(14)22-21(25(33)31-17-7-8-18(31)10-9-17)30-24(35-22)23(32)28-13-26(3,4)34;1-15-12-20(29-17(3)18-7-8-18)27-13-19(15)22-21(25(33)31-11-4-6-16(31)2)30-24(35-22)23(32)28-14-26(34)9-5-10-26;1-15-12-20(29-16-6-4-5-7-16)27-13-19(15)22-21(25(33)31-17-8-9-18(31)11-10-17)30-24(35-22)23(32)28-14-26(2,3)34;1-15-12-19(30-26(5,6)17-9-10-17)27-13-18(15)21-20(24(33)31-11-7-8-16(31)2)29-23(35-21)22(32)28-14-25(3,4)34;2*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;1-14-11-17(28-23(3,4)5)25-12-16(14)19-18(22(31)29-10-8-9-15(29)2)27-21(33-19)20(30)26-13-24(6,7)32;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;1-13(2)26-17-10-14(3)16(11-24-17)19-18(22(30)28-9-7-8-15(28)4)27-21(32-19)20(29)25-12-23(5,6)31/h2*11-12,15-18,34H,5-10,13H2,1-4H3,(H,27,29)(H,28,32);2*12-13,16-18,34H,4-11,14H2,1-3H3,(H,27,29)(H,28,32);12-13,16-17,34H,7-11,14H2,1-6H3,(H,27,30)(H,28,32);2*11-12,15-17,33H,6-10,13H2,1-5H3,(H,26,28)(H,27,31);11-12,15,32H,8-10,13H2,1-7H3,(H,25,28)(H,26,30);11-12,14,16,32H,7-10,13H2,1-6H3,(H,25,27)(H,26,30);10-11,13,15,31H,7-9,12H2,1-6H3,(H,24,26)(H,25,29)/t2*15-,17?,18?;16-,17-;;16-;2*15-,16+;15-;16-;15-/m000.000000/s1 |
| InChIKey | BLCLLQKYJLJBFQ-CXFZWSCKSA-N |
| XLogP | 39.21 |
| TPSA | 1074.50 Ų |
| H-Bond Donors | 30 |
| H-Bond Acceptors | 70 |
| Rotatable Bonds | 75 |
| Heavy Atoms | 341 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4868.55 |
| LogP ≤ 5 | 39.21 |
| H-Bond Donors ≤ 5 | 30 |
| H-Bond Acceptors ≤ 10 | 70 |