C173H148Cl3F2N29O14 — CID 158074056
N-[(2-chlorophenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-chlorophenyl)-3-[1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazol-4-yl]propan-2-one;N-[(2-fluorophenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide;N-(3-fluorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;N-(4-methylphenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;2-(2-methyl-4-pyridinyl)-1-[3-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazol-1-yl]phenyl]ethanone (PubChem CID 158074056) has the molecular formula C173H148Cl3F2N29O14 and a molecular weight of 3001.63 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-chlorophenyl)-3-[1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazol-4-yl]propan-2-one;N-[(2-fluorophenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide;N-(3-fluorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;N-(4-methylphenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;2-(2-methyl-4-pyridinyl)-1-[3-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazol-1-yl]phenyl]ethanone.
| Compound Name | N-[(2-chlorophenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-chlorophenyl)-3-[1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazol-4-yl]propan-2-one;N-[(2-fluorophenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide;N-(3-fluorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;N-(4-methylphenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;2-(2-methyl-4-pyridinyl)-1-[3-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazol-1-yl]phenyl]ethanone |
|---|---|
| PubChem CID | 158074056 |
| Molecular Formula | C173H148Cl3F2N29O14 |
| Molecular Weight | 3001.63 g/mol |
| Exact Mass | 2998.08 |
| IUPAC Name | N-[(2-chlorophenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-chlorophenyl)-3-[1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazol-4-yl]propan-2-one;N-[(2-fluorophenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide;N-(3-fluorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;N-(4-methylphenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide;2-(2-methyl-4-pyridinyl)-1-[3-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazol-1-yl]phenyl]ethanone |
| SMILES | Cc1cc(CC(=O)c2cccc(-n3cc(CC(=O)Nc4ccc(Cl)cc4)cn3)c2)ccn1.Cc1cc(CC(=O)c2cccc(-n3cc(CC(=O)Nc4cccc(F)c4)cn3)c2)ccn1.Cc1cc(CC(=O)c2cccc(-n3cc(CC(=O)c4ncn[nH]4)cn3)c2)ccn1.Cc1ccc(CC(=O)c2cccc(-n3cc(C(=O)NCc4ccccc4Cl)cn3)c2)cn1.Cc1ccc(CC(=O)c2cccc(-n3cc(C(=O)NCc4ccccc4F)cn3)c2)cn1.Cc1ccc(CC(=O)c2cccc(-n3cc(CC(=O)Cc4ccccc4Cl)cn3)c2)cn1.Cc1ccc(NC(=O)Cc2cnn(-c3cccc(C(=O)Cc4ccnc(C)c4)c3)c2)cc1 |
| InChI | InChI=1S/C26H22ClN3O2.C26H24N4O2.2C25H21ClN4O2.2C25H21FN4O2.C21H18N6O2/c1-18-9-10-19(15-28-18)12-26(32)22-6-4-7-23(13-22)30-17-20(16-29-30)11-24(31)14-21-5-2-3-8-25(21)27;1-18-6-8-23(9-7-18)29-26(32)14-21-16-28-30(17-21)24-5-3-4-22(15-24)25(31)13-20-10-11-27-19(2)12-20;1-17-9-10-18(13-27-17)11-24(31)19-6-4-7-22(12-19)30-16-21(15-29-30)25(32)28-14-20-5-2-3-8-23(20)26;1-17-11-18(9-10-27-17)12-24(31)20-3-2-4-23(14-20)30-16-19(15-28-30)13-25(32)29-22-7-5-21(26)6-8-22;1-17-10-18(8-9-27-17)11-24(31)20-4-2-7-23(13-20)30-16-19(15-28-30)12-25(32)29-22-6-3-5-21(26)14-22;1-17-9-10-18(13-27-17)11-24(31)19-6-4-7-22(12-19)30-16-21(15-29-30)25(32)28-14-20-5-2-3-8-23(20)26;1-14-7-15(5-6-22-14)8-19(28)17-3-2-4-18(10-17)27-12-16(11-25-27)9-20(29)21-23-13-24-26-21/h2-10,13,15-17H,11-12,14H2,1H3;3-12,15-17H,13-14H2,1-2H3,(H,29,32);2-10,12-13,15-16H,11,14H2,1H3,(H,28,32);2-11,14-16H,12-13H2,1H3,(H,29,32);2-10,13-16H,11-12H2,1H3,(H,29,32);2-10,12-13,15-16H,11,14H2,1H3,(H,28,32);2-7,10-13H,8-9H2,1H3,(H,23,24,26) |
| InChIKey | FMDTVDGKFNYXHM-UHFFFAOYSA-N |
| XLogP | 29.86 |
| TPSA | 555.67 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 221 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3001.63 |
| LogP ≤ 5 | 29.86 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 37 |