C160H164F12N22O21 — CID 160609089
2-(2-cyanopropan-2-yl)-N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 160609089) has the molecular formula C160H164F12N22O21 and a molecular weight of 2959.18 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 160609089 |
| Molecular Formula | C160H164F12N22O21 |
| Molecular Weight | 2959.18 g/mol |
| Exact Mass | 2957.22 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide |
| SMILES | CCOc1nnc(-c2cc(NC(=O)c3cc(CN(C)C)cc(C(F)(F)F)c3)cnc2C)cc1C1(C)COC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(C)COC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)cc1C1(C)COC1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1 |
| InChI | InChI=1S/C29H28FN3O4.C28H28F2N2O4.C27H30F3N5O3.C27H25F3N2O4.C25H28FN5O3.C24H25F2N5O3/c1-18-4-5-23(33-26(34)19-6-7-32-25(10-19)27(2,3)13-31)12-24(18)20-8-21(28(30)14-36-15-28)11-22(9-20)29(35)16-37-17-29;1-17-4-5-22(32-25(33)18-6-7-31-24(10-18)26(2,3)29)12-23(17)19-8-20(27(30)13-35-14-27)11-21(9-19)28(34)15-36-16-28;1-6-38-25-22(26(3)14-37-15-26)11-23(33-34-25)21-10-20(12-31-16(21)2)32-24(36)18-7-17(13-35(4)5)8-19(9-18)27(28,29)30;1-16-3-4-21(32-24(33)17-5-6-31-23(9-17)25(2,28)29)11-22(16)18-7-19(26(30)12-35-13-26)10-20(8-18)27(34)14-36-15-27;1-6-34-23-19(25(5)13-33-14-25)11-20(30-31-23)18-10-17(12-28-15(18)2)29-22(32)16-7-8-27-21(9-16)24(3,4)26;1-5-34-22-18(23(3)12-33-13-23)10-19(30-31-22)17-9-16(11-28-14(17)2)29-21(32)15-6-7-27-20(8-15)24(4,25)26/h4-12,35H,14-17H2,1-3H3,(H,33,34);4-12,34H,13-16H2,1-3H3,(H,32,33);7-12H,6,13-15H2,1-5H3,(H,32,36);3-11,34H,12-15H2,1-2H3,(H,32,33);7-12H,6,13-14H2,1-5H3,(H,29,32);6-11H,5,12-13H2,1-4H3,(H,29,32) |
| InChIKey | RFGQFGAYIQKRKQ-UHFFFAOYSA-N |
| XLogP | 27.83 |
| TPSA | 553.54 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 215 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2959.18 |
| LogP ≤ 5 | 27.83 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 37 |