1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide
C155H127ClFN25O9S2 — CID 162170705
Data last refreshed: (MolForge compound catalog, from PubChem)
About 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide
1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide (PubChem CID 162170705) has the molecular formula C155H127ClFN25O9S2 and a molecular weight of 2602.47 g/mol. Its IUPAC name is 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide.
Molecular Properties
| Compound Name | 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide |
|---|---|
| PubChem CID | 162170705 |
| Molecular Formula | C155H127ClFN25O9S2 |
| Molecular Weight | 2602.47 g/mol |
| Exact Mass | 2599.94 |
| IUPAC Name | 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide |
| SMILES | Cc1cc(CC(=O)c2cccc(-n3cc(CC(=O)c4cc5cccc(Cl)c5[nH]4)cn3)c2)ccn1.Cc1cc(CC(=O)c2cccc(-n3cc(CC(=O)c4cc5ccccc5[nH]4)cn3)c2)ccn1.Cc1ccc(CC(=O)c2cccc(-n3cc(Cc4nc5ccc(F)cc5s4)cn3)c2)cn1.Cc1ccc(CC(=O)c2cccc(-n3cc(Cc4nc5ccccc5[nH]4)cn3)c2)cn1.Cc1ccc(CC(=O)c2cccc(-n3cc(Cc4nc5ccccc5s4)cn3)c2)cn1.Cc1cccc(CNC(=O)c2cnn(-c3cccc(C(=O)Cc4ccc(C)nc4)c3)c2)c1 |
| InChI | InChI=1S/C27H21ClN4O2.C27H22N4O2.C26H24N4O2.C25H19FN4OS.C25H21N5O.C25H20N4OS/c1-17-10-18(8-9-29-17)11-25(33)20-4-2-6-22(13-20)32-16-19(15-30-32)12-26(34)24-14-21-5-3-7-23(28)27(21)31-24;1-18-11-19(9-10-28-18)12-26(32)22-6-4-7-23(14-22)31-17-20(16-29-31)13-27(33)25-15-21-5-2-3-8-24(21)30-25;1-18-5-3-6-20(11-18)15-28-26(32)23-16-29-30(17-23)24-8-4-7-22(13-24)25(31)12-21-10-9-19(2)27-14-21;1-16-5-6-17(13-27-16)9-23(31)19-3-2-4-21(11-19)30-15-18(14-28-30)10-25-29-22-8-7-20(26)12-24(22)32-25;1-17-9-10-18(14-26-17)11-24(31)20-5-4-6-21(13-20)30-16-19(15-27-30)12-25-28-22-7-2-3-8-23(22)29-25;1-17-9-10-18(14-26-17)11-23(30)20-5-4-6-21(13-20)29-16-19(15-27-29)12-25-28-22-7-2-3-8-24(22)31-25/h2-10,13-16,31H,11-12H2,1H3;2-11,14-17,30H,12-13H2,1H3;3-11,13-14,16-17H,12,15H2,1-2H3,(H,28,32);2-8,11-15H,9-10H2,1H3;2-10,13-16H,11-12H2,1H3,(H,28,29);2-10,13-16H,11-12H2,1H3 |
| InChIKey | ZNTBAJMVGVLZFJ-UHFFFAOYSA-N |
| XLogP | 29.72 |
| TPSA | 435.96 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 193 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2602.47 |
| LogP ≤ 5 | 29.72 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 32 |
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Sources
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