C136H157N33O10S5 — CID 167541582
N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]oxane-4-carboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea (PubChem CID 167541582) has the molecular formula C136H157N33O10S5 and a molecular weight of 2574.31 g/mol. Its IUPAC name is N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]oxane-4-carboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea.
| Compound Name | N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]oxane-4-carboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea |
|---|---|
| PubChem CID | 167541582 |
| Molecular Formula | C136H157N33O10S5 |
| Molecular Weight | 2574.31 g/mol |
| Exact Mass | 2572.14 |
| IUPAC Name | N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]oxane-4-carboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea |
| SMILES | CCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CCOCC4)c3)s2)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)CO)c3)s2)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)cc1.Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)c1 |
| InChI | InChI=1S/C31H37N7O3S.C28H33N7O2S.C27H31N7O3S.2C25H28N6OS/c1-20-5-8-23(9-6-20)38-27(18-25(37-38)31(2,3)4)35-29(40)36-30-33-19-24(42-30)10-7-21-11-14-32-26(17-21)34-28(39)22-12-15-41-16-13-22;1-6-25(36)31-23-15-19(13-14-29-23)9-12-21-17-30-27(38-21)33-26(37)32-24-16-22(28(3,4)5)34-35(24)20-10-7-18(2)8-11-20;1-17-5-8-19(9-6-17)34-23(14-21(33-34)27(2,3)4)31-25(37)32-26-29-15-20(38-26)10-7-18-11-12-28-22(13-18)30-24(36)16-35;1-17-5-8-19(9-6-17)31-22(15-21(30-31)25(2,3)4)28-23(32)29-24-27-16-20(33-24)10-7-18-11-13-26-14-12-18;1-17-6-5-7-19(14-17)31-22(15-21(30-31)25(2,3)4)28-23(32)29-24-27-16-20(33-24)9-8-18-10-12-26-13-11-18/h5-6,8-9,11,14,17-19,22H,7,10,12-13,15-16H2,1-4H3,(H,32,34,39)(H2,33,35,36,40);7-8,10-11,13-17H,6,9,12H2,1-5H3,(H,29,31,36)(H2,30,32,33,37);5-6,8-9,11-15,35H,7,10,16H2,1-4H3,(H,28,30,36)(H2,29,31,32,37);5-6,8-9,11-16H,7,10H2,1-4H3,(H2,27,28,29,32);5-7,10-16H,8-9H2,1-4H3,(H2,27,28,29,32) |
| InChIKey | BGNCKNBLFDQLSW-UHFFFAOYSA-N |
| XLogP | 28.44 |
| TPSA | 540.41 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 184 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2574.31 |
| LogP ≤ 5 | 28.44 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 35 |