C184H182F12N24O29S — CID 159306868
2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone (PubChem CID 159306868) has the molecular formula C184H182F12N24O29S and a molecular weight of 3453.66 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone |
|---|---|
| PubChem CID | 159306868 |
| Molecular Formula | C184H182F12N24O29S |
| Molecular Weight | 3453.66 g/mol |
| Exact Mass | 3451.30 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone |
| SMILES | CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(CF)COC1.COC1(c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)cc(OCCO)n2)COC1.COc1ncc(-c2cc(C(=O)Cc3ccnc(S(C)(=O)=O)c3)ccc2C)cc1C1(O)COC1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(-c2cnn(C)c2)c(C2(O)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1 |
| InChI | InChI=1S/C28H27FN4O4.C27H25F2N5O3.C27H27F2N3O4.C26H24F3N3O4.C26H28F2N4O3.C26H27F2N3O5.C24H24N2O6S/c1-17-23(19-6-20(27(29)13-36-14-27)9-21(7-19)28(35)15-37-16-28)10-22(11-32-17)33-25(34)18-4-5-31-24(8-18)26(2,3)12-30;1-16-4-5-20(33-25(35)17-6-7-30-23(9-17)26(2,28)29)10-21(16)18-8-22(27(36)14-37-15-27)24(31-11-18)19-12-32-34(3)13-19;1-16-22(10-21(11-31-16)32-24(33)17-4-5-30-23(8-17)25(2,3)28)18-6-19(26(29)12-35-13-26)9-20(7-18)27(34)14-36-15-27;1-15-21(9-20(10-31-15)32-23(33)16-3-4-30-22(7-16)24(2,27)28)17-5-18(25(29)11-35-12-25)8-19(6-17)26(34)13-36-14-26;1-5-35-24-21(26(13-27)14-34-15-26)8-18(11-31-24)20-10-19(12-30-16(20)2)32-23(33)17-6-7-29-22(9-17)25(3,4)28;1-16-4-5-19(30-24(33)17-6-7-29-21(10-17)25(2,27)28)13-20(16)18-11-22(26(34-3)14-35-15-26)31-23(12-18)36-9-8-32;1-15-4-5-17(21(27)8-16-6-7-25-22(9-16)33(3,29)30)10-19(15)18-11-20(23(31-2)26-12-18)24(28)13-32-14-24/h4-11,35H,13-16H2,1-3H3,(H,33,34);4-13,36H,14-15H2,1-3H3,(H,33,35);4-11,34H,12-15H2,1-3H3,(H,32,33);3-10,34H,11-14H2,1-2H3,(H,32,33);6-12H,5,13-15H2,1-4H3,(H,32,33);4-7,10-13,32H,8-9,14-15H2,1-3H3,(H,30,33);4-7,9-12,28H,8,13-14H2,1-3H3 |
| InChIKey | LCAIIAONKRWOGF-UHFFFAOYSA-N |
| XLogP | 28.41 |
| TPSA | 711.37 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 250 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3453.66 |
| LogP ≤ 5 | 28.41 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 47 |