C162H177F10N31O20 — CID 160879514
6-(2-cyanopropan-2-yl)-N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 160879514) has the molecular formula C162H177F10N31O20 and a molecular weight of 3068.37 g/mol. Its IUPAC name is 6-(2-cyanopropan-2-yl)-N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | 6-(2-cyanopropan-2-yl)-N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 160879514 |
| Molecular Formula | C162H177F10N31O20 |
| Molecular Weight | 3068.37 g/mol |
| Exact Mass | 3066.36 |
| IUPAC Name | 6-(2-cyanopropan-2-yl)-N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | CCOc1ncc(-c2cc(C(=O)Cc3cc(C(F)(F)F)ncc3F)ccc2C)cc1N1CCOCC1.Cc1ncc(NC(=O)c2cc(C(C)(C)C#N)ccn2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)O)ccn2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OC2CC3(COC3)C2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(OCC(F)F)c(N2CCOCC2)c1 |
| InChI | InChI=1S/C30H34FN5O4.C28H32N6O3.C27H33N5O4.C26H25F4N3O3.C26H27F2N7O3.C25H26F3N5O3/c1-19-24(12-22(16-33-19)35-27(37)20-4-5-32-26(11-20)29(2,3)31)21-10-25(36-6-8-38-9-7-36)28(34-15-21)40-23-13-30(14-23)17-39-18-30;1-18(2)37-27-25(34-8-10-36-11-9-34)12-20(15-32-27)23-14-22(16-31-19(23)3)33-26(35)24-13-21(6-7-30-24)28(4,5)17-29;1-17(2)36-26-24(32-8-10-35-11-9-32)12-19(15-30-26)22-14-21(16-29-18(22)3)31-25(33)23-13-20(6-7-28-23)27(4,5)34;1-3-36-25-22(33-6-8-35-9-7-33)11-19(14-32-25)20-10-17(5-4-16(20)2)23(34)12-18-13-24(26(28,29)30)31-15-21(18)27;1-16-20(17-8-21(35-4-6-37-7-5-35)25(31-11-17)38-14-23(27)28)10-19(13-30-16)33-24(36)18-9-22(34-32-12-18)26(2,3)15-29;1-15(2)36-24-22(33-4-6-35-7-5-33)9-17(12-31-24)21-10-20(14-30-16(21)3)32-23(34)18-8-19(13-29-11-18)25(26,27)28/h4-5,10-12,15-16,23H,6-9,13-14,17-18H2,1-3H3,(H,35,37);6-7,12-16,18H,8-11H2,1-5H3,(H,33,35);6-7,12-17,34H,8-11H2,1-5H3,(H,31,33);4-5,10-11,13-15H,3,6-9,12H2,1-2H3;8-13,23H,4-7,14H2,1-3H3,(H,33,36);8-15H,4-7H2,1-3H3,(H,32,34) |
| InChIKey | SMVTYQRUFSNDKP-UHFFFAOYSA-N |
| XLogP | 26.96 |
| TPSA | 601.83 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 223 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3068.37 |
| LogP ≤ 5 | 26.96 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 46 |