C143H111Cl6F20N43O14S6 — CID 161444709
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 161444709) has the molecular formula C143H111Cl6F20N43O14S6 and a molecular weight of 3440.83 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.
| Compound Name | N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide |
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| PubChem CID | 161444709 |
| Molecular Formula | C143H111Cl6F20N43O14S6 |
| Molecular Weight | 3440.83 g/mol |
| Exact Mass | 3435.54 |
| IUPAC Name | N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide |
| SMILES | CC(CC(=O)c1cc(NCCCN2CCCC2=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(Nc2ccc(C#N)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(Nc2ccc(F)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(Nc2cccnc2F)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.COc1ncccc1Nc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.Cc1ccc(Nc2cc(C(=O)CC(C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)ncn2)cn1 |
| InChI | InChI=1S/C25H25ClF3N7O3S.C24H16ClF3N8O2S.C24H19ClF3N7O3S.C24H19ClF3N7O2S.2C23H16ClF4N7O2S/c1-14(8-18(37)17-10-20(34-13-33-17)30-5-3-7-36-6-2-4-22(36)38)24-32-12-19(40-24)23(39)35-21-9-15(25(27,28)29)16(26)11-31-21;1-12(4-18(37)17-6-21(34-11-33-17)35-14-3-2-13(7-29)30-8-14)23-32-10-19(39-23)22(38)36-20-5-15(24(26,27)28)16(25)9-31-20;1-12(6-17(36)16-8-20(33-11-32-16)34-15-4-3-5-29-22(15)38-2)23-31-10-18(39-23)21(37)35-19-7-13(24(26,27)28)14(25)9-30-19;1-12(5-18(36)17-7-21(33-11-32-17)34-14-4-3-13(2)29-8-14)23-31-10-19(38-23)22(37)35-20-6-15(24(26,27)28)16(25)9-30-20;1-11(4-16(36)15-6-20(33-10-32-15)34-12-2-3-18(25)29-7-12)22-31-9-17(38-22)21(37)35-19-5-13(23(26,27)28)14(24)8-30-19;1-11(5-16(36)15-7-19(33-10-32-15)34-14-3-2-4-29-20(14)25)22-31-9-17(38-22)21(37)35-18-6-12(23(26,27)28)13(24)8-30-18/h9-14H,2-8H2,1H3,(H,30,33,34)(H,31,35,39);2-3,5-6,8-12H,4H2,1H3,(H,31,36,38)(H,33,34,35);3-5,7-12H,6H2,1-2H3,(H,30,35,37)(H,32,33,34);3-4,6-12H,5H2,1-2H3,(H,30,35,37)(H,32,33,34);2-3,5-11H,4H2,1H3,(H,30,35,37)(H,32,33,34);2-4,6-11H,5H2,1H3,(H,30,35,37)(H,32,33,34) |
| InChIKey | VZSXXXLTEXFSKA-UHFFFAOYSA-N |
| XLogP | 34.36 |
| TPSA | 776.34 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 56 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 232 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3440.83 |
| LogP ≤ 5 | 34.36 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 56 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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