C131H104F15N33O16S — CID 158669494
4-(benzylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoate;1-(3-morpholin-4-yl-3-oxopropyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 158669494) has the molecular formula C131H104F15N33O16S and a molecular weight of 2713.52 g/mol. Its IUPAC name is 4-(benzylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoate;1-(3-morpholin-4-yl-3-oxopropyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide.
| Compound Name | 4-(benzylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoate;1-(3-morpholin-4-yl-3-oxopropyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158669494 |
| Molecular Formula | C131H104F15N33O16S |
| Molecular Weight | 2713.52 g/mol |
| Exact Mass | 2711.78 |
| IUPAC Name | 4-(benzylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoate;1-(3-morpholin-4-yl-3-oxopropyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide |
| SMILES | CN(C)C(=O)CCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.COC(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)NCc1cccnc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(=O)n(CCC(=O)N2CCOCC2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 |
| InChI | InChI=1S/C28H21F3N8O3.C28H21F3N6O3S.C27H24F3N7O4.C25H22F3N7O3.C23H16F3N5O3/c29-28(30,31)23-11-22(19-4-2-10-33-14-19)37-39(23)21-6-7-24(34-15-21)36-27(42)20-5-8-26(41)38(16-20)17-25(40)35-13-18-3-1-9-32-12-18;29-28(30,31)25-15-24(21-7-4-14-32-17-21)36-37(25)22-10-13-26(33-18-22)35-27(38)20-8-11-23(12-9-20)41(39,40)34-16-19-5-2-1-3-6-19;28-27(29,30)22-14-21(18-2-1-8-31-15-18)34-37(22)20-4-5-23(32-16-20)33-26(40)19-3-6-24(38)36(17-19)9-7-25(39)35-10-12-41-13-11-35;1-33(2)22(36)9-11-34-15-17(5-8-23(34)37)24(38)31-21-7-6-18(14-30-21)35-20(25(26,27)28)12-19(32-35)16-4-3-10-29-13-16;1-34-22(33)15-5-2-4-14(10-15)21(32)29-20-8-7-17(13-28-20)31-19(23(24,25)26)11-18(30-31)16-6-3-9-27-12-16/h1-12,14-16H,13,17H2,(H,35,40)(H,34,36,42);1-15,17-18,34H,16H2,(H,33,35,38);1-6,8,14-17H,7,9-13H2,(H,32,33,40);3-8,10,12-15H,9,11H2,1-2H3,(H,30,31,38);2-13H,1H3,(H,28,29,32) |
| InChIKey | IDTSVDWBIQEXAH-UHFFFAOYSA-N |
| XLogP | 19.19 |
| TPSA | 593.81 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2713.52 |
| LogP ≤ 5 | 19.19 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 40 |