C150H152F18N32O15S — CID 162061371
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(N-methylanilino)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[4-(1-hydroxyethenyl)cyclohexanecarbonyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[4-[5-[(2-methylphenyl)carbamoyl]-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 162061371) has the molecular formula C150H152F18N32O15S and a molecular weight of 3017.11 g/mol. Its IUPAC name is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(N-methylanilino)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[4-(1-hydroxyethenyl)cyclohexanecarbonyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[4-[5-[(2-methylphenyl)carbamoyl]-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
| Compound Name | N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(N-methylanilino)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[4-(1-hydroxyethenyl)cyclohexanecarbonyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[4-[5-[(2-methylphenyl)carbamoyl]-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide |
|---|---|
| PubChem CID | 162061371 |
| Molecular Formula | C150H152F18N32O15S |
| Molecular Weight | 3017.11 g/mol |
| Exact Mass | 3015.15 |
| IUPAC Name | N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(N-methylanilino)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[4-(1-hydroxyethenyl)cyclohexanecarbonyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[4-[5-[(2-methylphenyl)carbamoyl]-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide |
| SMILES | C=C(O)C1CCC(C(=O)N2CCN(c3ccc(NC(=O)c4oc(N5CCCC(C)C5)nc4C(F)(F)F)cn3)CC2)CC1.CN(CC1(c2ccccc2)CC1)c1nc(C(F)(F)F)c(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2)o1.CN(CCc1ccccc1)c1nc(C(F)(F)F)c(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2)o1.CN(Cc1nc(C(F)(F)F)c(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2)s1)c1ccccc1.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)nc1 |
| InChI | InChI=1S/C32H31F4N7O3.C30H29F4N7O3.C30H28F3N5O3.C29H27F4N7O2S.C29H37F3N6O4/c1-41(20-31(13-14-31)21-7-3-2-4-8-21)30-40-27(32(34,35)36)26(46-30)28(44)38-22-11-12-25(37-19-22)42-15-17-43(18-16-42)29(45)39-24-10-6-5-9-23(24)33;1-39(14-13-20-7-3-2-4-8-20)29-38-26(30(32,33)34)25(44-29)27(42)36-21-11-12-24(35-19-21)40-15-17-41(18-16-40)28(43)37-23-10-6-5-9-22(23)31;1-18-6-5-15-38(17-18)29-37-26(30(31,32)33)25(41-29)28(40)35-22-12-9-20(10-13-22)24-14-11-21(16-34-24)27(39)36-23-8-4-3-7-19(23)2;1-38(20-7-3-2-4-8-20)18-24-37-26(29(31,32)33)25(43-24)27(41)35-19-11-12-23(34-17-19)39-13-15-40(16-14-39)28(42)36-22-10-6-5-9-21(22)30;1-18-4-3-11-38(17-18)28-35-25(29(30,31)32)24(42-28)26(40)34-22-9-10-23(33-16-22)36-12-14-37(15-13-36)27(41)21-7-5-20(6-8-21)19(2)39/h2-12,19H,13-18,20H2,1H3,(H,38,44)(H,39,45);2-12,19H,13-18H2,1H3,(H,36,42)(H,37,43);3-4,7-14,16,18H,5-6,15,17H2,1-2H3,(H,35,40)(H,36,39);2-12,17H,13-16,18H2,1H3,(H,35,41)(H,36,42);9-10,16,18,20-21,39H,2-8,11-15,17H2,1H3,(H,34,40) |
| InChIKey | YZWRDUUIXUCJLR-UHFFFAOYSA-N |
| XLogP | 29.36 |
| TPSA | 522.78 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 216 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3017.11 |
| LogP ≤ 5 | 29.36 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
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