C147H115F19N34O11 — CID 159462138
4-tert-butyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;6-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-N-(cyclohexylmethyl)-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-N-cyclohexyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;4-fluoro-3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoic acid (PubChem CID 159462138) has the molecular formula C147H115F19N34O11 and a molecular weight of 2894.73 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;6-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-N-(cyclohexylmethyl)-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-N-cyclohexyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;4-fluoro-3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoic acid.
| Compound Name | 4-tert-butyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;6-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-N-(cyclohexylmethyl)-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-N-cyclohexyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;4-fluoro-3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoic acid |
|---|---|
| PubChem CID | 159462138 |
| Molecular Formula | C147H115F19N34O11 |
| Molecular Weight | 2894.73 g/mol |
| Exact Mass | 2892.92 |
| IUPAC Name | 4-tert-butyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;6-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-N-(cyclohexylmethyl)-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-N-cyclohexyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;4-fluoro-3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoic acid |
| SMILES | CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1.COc1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1F.N#Cc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cn1.O=C(NCC1CCCCC1)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(C(=O)NC2CCCCC2)c1.O=C(O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1 |
| InChI | InChI=1S/C29H27F3N6O2.C28H25F3N6O2.C25H22F3N5O.C22H15F4N5O2.C22H14F3N5O3.C21H12F3N7O/c30-29(31,32)25-15-24(22-10-5-13-33-17-22)37-38(25)23-11-12-26(34-18-23)36-28(40)21-9-4-8-20(14-21)27(39)35-16-19-6-2-1-3-7-19;29-28(30,31)24-15-23(20-8-5-13-32-16-20)36-37(24)22-11-12-25(33-17-22)35-27(39)19-7-4-6-18(14-19)26(38)34-21-9-2-1-3-10-21;1-24(2,3)18-8-6-16(7-9-18)23(34)31-22-11-10-19(15-30-22)33-21(25(26,27)28)13-20(32-33)17-5-4-12-29-14-17;1-33-18-9-13(4-6-16(18)23)21(32)29-20-7-5-15(12-28-20)31-19(22(24,25)26)10-17(30-31)14-3-2-8-27-11-14;23-22(24,25)18-10-17(15-5-2-8-26-11-15)29-30(18)16-6-7-19(27-12-16)28-20(31)13-3-1-4-14(9-13)21(32)33;22-21(23,24)18-8-17(13-2-1-7-26-10-13)30-31(18)16-5-6-19(28-12-16)29-20(32)14-3-4-15(9-25)27-11-14/h4-5,8-15,17-19H,1-3,6-7,16H2,(H,35,39)(H,34,36,40);4-8,11-17,21H,1-3,9-10H2,(H,34,38)(H,33,35,39);4-15H,1-3H3,(H,30,31,34);2-12H,1H3,(H,28,29,32);1-12H,(H,32,33)(H,27,28,31);1-8,10-12H,(H,28,29,32) |
| InChIKey | LUSJKYDYZKTZEH-UHFFFAOYSA-N |
| XLogP | 30.39 |
| TPSA | 577.61 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 211 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2894.73 |
| LogP ≤ 5 | 30.39 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 36 |