C151H128Cl6F2N26O12 — CID 159423024
5-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-methyl-N-(6-methyl-3-pyridinyl)benzamide;N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-3-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-(5-methyl-2-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-(6-methyl-2-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide (PubChem CID 159423024) has the molecular formula C151H128Cl6F2N26O12 and a molecular weight of 2749.57 g/mol. Its IUPAC name is 5-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-methyl-N-(6-methyl-3-pyridinyl)benzamide;N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-3-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-(5-methyl-2-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-(6-methyl-2-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide.
| Compound Name | 5-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-methyl-N-(6-methyl-3-pyridinyl)benzamide;N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-3-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-(5-methyl-2-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-(6-methyl-2-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide |
|---|---|
| PubChem CID | 159423024 |
| Molecular Formula | C151H128Cl6F2N26O12 |
| Molecular Weight | 2749.57 g/mol |
| Exact Mass | 2744.83 |
| IUPAC Name | 5-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-[2-(2-chloroanilino)-2-oxoethyl]pyrazol-1-yl]-N-methyl-N-(6-methyl-3-pyridinyl)benzamide;N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-3-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-(5-methyl-2-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-(6-methyl-2-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide |
| SMILES | Cc1cc(CC(=O)c2cc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)ccc2F)cc(C)n1.Cc1ccc(CC(=O)c2cccc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)c2)nc1.Cc1ccc(CNC(=O)c2cc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)ccc2F)cn1.Cc1ccc(N(C)C(=O)c2cccc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)c2)cn1.Cc1cccc(CC(=O)c2cccc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)c2)n1.Cc1ncccc1CC(=O)c1cccc(-n2cc(CC(=O)Nc3ccccc3Cl)cn2)c1 |
| InChI | InChI=1S/C26H22ClFN4O2.C25H21ClFN5O2.C25H22ClN5O2.3C25H21ClN4O2/c1-16-9-18(10-17(2)30-16)11-25(33)21-13-20(7-8-23(21)28)32-15-19(14-29-32)12-26(34)31-24-6-4-3-5-22(24)27;1-16-6-7-17(12-28-16)13-29-25(34)20-11-19(8-9-22(20)27)32-15-18(14-30-32)10-24(33)31-23-5-3-2-4-21(23)26;1-17-10-11-21(15-27-17)30(2)25(33)19-6-5-7-20(13-19)31-16-18(14-28-31)12-24(32)29-23-9-4-3-8-22(23)26;1-17-6-4-8-20(28-17)14-24(31)19-7-5-9-21(13-19)30-16-18(15-27-30)12-25(32)29-23-11-3-2-10-22(23)26;1-17-19(7-5-11-27-17)14-24(31)20-6-4-8-21(13-20)30-16-18(15-28-30)12-25(32)29-23-10-3-2-9-22(23)26;1-17-9-10-20(27-14-17)13-24(31)19-5-4-6-21(12-19)30-16-18(15-28-30)11-25(32)29-23-8-3-2-7-22(23)26/h3-10,13-15H,11-12H2,1-2H3,(H,31,34);2-9,11-12,14-15H,10,13H2,1H3,(H,29,34)(H,31,33);3-11,13-16H,12H2,1-2H3,(H,29,32);2*2-11,13,15-16H,12,14H2,1H3,(H,29,32);2-10,12,14-16H,11,13H2,1H3,(H,29,32) |
| InChIKey | LPZRBRDMDJFYRH-UHFFFAOYSA-N |
| XLogP | 28.96 |
| TPSA | 476.55 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 197 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2749.57 |
| LogP ≤ 5 | 28.96 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 30 |