C137H123BrCl2F6N24O9S3 — CID 159199476
(3-bromophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone;3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;3-chloro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenesulfonamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide (PubChem CID 159199476) has the molecular formula C137H123BrCl2F6N24O9S3 and a molecular weight of 2610.65 g/mol. Its IUPAC name is (3-bromophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone;3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;3-chloro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenesulfonamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide.
| Compound Name | (3-bromophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone;3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;3-chloro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenesulfonamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide |
|---|---|
| PubChem CID | 159199476 |
| Molecular Formula | C137H123BrCl2F6N24O9S3 |
| Molecular Weight | 2610.65 g/mol |
| Exact Mass | 2606.75 |
| IUPAC Name | (3-bromophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone;3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;3-chloro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenesulfonamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide |
| SMILES | CS(=O)(=O)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1.C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.Cc1ccc(C(=O)N2CCC(c3[nH]nc(-c4ccc(F)cc4)c3-c3ccncc3)CC2)cc1.O=C(NCCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)C1CC1.O=C(c1cccc(Br)c1)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1.O=S(=O)(NCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)c1cccc(Cl)c1 |
| InChI | InChI=1S/C27H25FN4O.C26H22BrFN4O.C22H18ClFN4O2S.C21H16ClFN4O2S.C21H21FN4O.C20H21FN4O2S/c1-18-2-4-22(5-3-18)27(33)32-16-12-21(13-17-32)26-24(19-10-14-29-15-11-19)25(30-31-26)20-6-8-23(28)9-7-20;27-21-3-1-2-20(16-21)26(33)32-14-10-19(11-15-32)25-23(17-8-12-29-13-9-17)24(30-31-25)18-4-6-22(28)7-5-18;1-14(28-31(29,30)19-4-2-3-17(23)13-19)21-20(15-9-11-25-12-10-15)22(27-26-21)16-5-7-18(24)8-6-16;22-16-2-1-3-18(12-16)30(28,29)25-13-19-20(14-8-10-24-11-9-14)21(27-26-19)15-4-6-17(23)7-5-15;22-17-7-5-15(6-8-17)20-19(14-9-12-23-13-10-14)18(25-26-20)2-1-11-24-21(27)16-3-4-16;1-28(26,27)25-12-8-16(9-13-25)20-18(14-6-10-22-11-7-14)19(23-24-20)15-2-4-17(21)5-3-15/h2-11,14-15,21H,12-13,16-17H2,1H3,(H,30,31);1-9,12-13,16,19H,10-11,14-15H2,(H,30,31);2-14,28H,1H3,(H,26,27);1-12,25H,13H2,(H,26,27);5-10,12-13,16H,1-4,11H2,(H,24,27)(H,25,26);2-7,10-11,16H,8-9,12-13H2,1H3,(H,23,24)/t;;14-;;;/m..1.../s1 |
| InChIKey | KPCGQZTXOORQKM-GXQCACHISA-N |
| XLogP | 28.20 |
| TPSA | 448.86 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2610.65 |
| LogP ≤ 5 | 28.20 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|