C158H171F7N30O21 — CID 158372788
2-(2-cyanopropan-2-yl)-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-cyclopropyl-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidine-1-carbonyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158372788) has the molecular formula C158H171F7N30O21 and a molecular weight of 2959.28 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-cyclopropyl-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidine-1-carbonyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-cyclopropyl-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidine-1-carbonyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 158372788 |
| Molecular Formula | C158H171F7N30O21 |
| Molecular Weight | 2959.28 g/mol |
| Exact Mass | 2957.31 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-cyclopropyl-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidine-1-carbonyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | CCOc1cc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc(N2CCOCC2)n1.CCOc1cc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)cnc2C)cc(N2CCOCC2)n1.CCOc1cc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)cnc2C)cc(N2CCOCC2)n1.CCOc1cc(-c2cc(NC(=O)c3ccnc(C4CC4)c3)cnc2C)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(C2COCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C(=O)N2CC(O)C2)nc(N2CCOCC2)c1 |
| InChI | InChI=1S/C28H30F2N4O4.C27H26F3N5O4.C27H30N6O3.C26H31N5O4.C26H29N5O3.C24H25F2N5O3/c1-18-3-4-21(32-27(35)19-5-6-31-25(14-19)28(2,29)30)16-22(18)20-13-23(24-17-37-11-12-38-24)33-26(15-20)34-7-9-36-10-8-34;1-16-2-3-19(32-25(37)17-4-5-31-23(11-17)27(28,29)30)13-21(16)18-10-22(26(38)35-14-20(36)15-35)33-24(12-18)34-6-8-39-9-7-34;1-5-36-25-14-20(13-24(32-25)33-8-10-35-11-9-33)22-15-21(16-30-18(22)2)31-26(34)19-6-7-29-23(12-19)27(3,4)17-28;1-5-35-24-14-19(13-23(30-24)31-8-10-34-11-9-31)21-15-20(16-28-17(21)2)29-25(32)18-6-7-27-22(12-18)26(3,4)33;1-3-34-25-14-20(13-24(30-25)31-8-10-33-11-9-31)22-15-21(16-28-17(22)2)29-26(32)19-6-7-27-23(12-19)18-4-5-18;1-3-34-22-12-17(11-21(30-22)31-6-8-33-9-7-31)19-13-18(14-28-15(19)2)29-24(32)16-4-5-27-20(10-16)23(25)26/h3-6,13-16,24H,7-12,17H2,1-2H3,(H,32,35);2-5,10-13,20,36H,6-9,14-15H2,1H3,(H,32,37);6-7,12-16H,5,8-11H2,1-4H3,(H,31,34);6-7,12-16,33H,5,8-11H2,1-4H3,(H,29,32);6-7,12-16,18H,3-5,8-11H2,1-2H3,(H,29,32);4-5,10-14,23H,3,6-9H2,1-2H3,(H,29,32) |
| InChIKey | GUVADQIKMIDRPI-UHFFFAOYSA-N |
| XLogP | 24.30 |
| TPSA | 595.60 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 216 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2959.28 |
| LogP ≤ 5 | 24.30 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 44 |