C155H169F11N30O20 — CID 158076394
2-(2-cyanopropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 158076394) has the molecular formula C155H169F11N30O20 and a molecular weight of 2981.22 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158076394 |
| Molecular Formula | C155H169F11N30O20 |
| Molecular Weight | 2981.22 g/mol |
| Exact Mass | 2979.30 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OCCO)nn1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(OCCO)nn1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1 |
| InChI | InChI=1S/C27H32FN5O3.C27H30N6O4.C26H29F2N5O3.C25H26F3N5O3.C25H25F3N4O4.C25H27F2N5O3/c1-17(2)36-26-23(33-10-12-35-13-11-33)16-22(31-32-26)21-15-20(7-6-18(21)3)30-25(34)19-8-9-29-24(14-19)27(4,5)28;1-18-4-5-20(30-25(35)19-6-7-29-24(14-19)27(2,3)17-28)15-21(18)22-16-23(33-8-11-36-12-9-33)26(32-31-22)37-13-10-34;1-16(2)36-25-22(33-9-11-35-12-10-33)15-21(31-32-25)20-14-19(6-5-17(20)3)30-24(34)18-7-8-29-23(13-18)26(4,27)28;1-15(2)36-24-22(33-8-10-35-11-9-33)14-20(31-32-24)19-13-18(5-4-16(19)3)30-23(34)21-12-17(6-7-29-21)25(26,27)28;1-16-5-6-19(29-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(32-7-10-35-11-8-32)24(31-30-21)36-12-9-33;1-15(2)35-25-22(32-8-10-34-11-9-32)14-20(30-31-25)19-13-18(5-4-16(19)3)29-24(33)17-6-7-28-21(12-17)23(26)27/h6-9,14-17H,10-13H2,1-5H3,(H,30,34);4-7,14-16,34H,8-13H2,1-3H3,(H,30,35);5-8,13-16H,9-12H2,1-4H3,(H,30,34);4-7,12-15H,8-11H2,1-3H3,(H,30,34);2-6,13-15,33H,7-12H2,1H3,(H,29,34);4-7,12-15,23H,8-11H2,1-3H3,(H,29,33) |
| InChIKey | FMKQLVARQYDFNA-UHFFFAOYSA-N |
| XLogP | 26.20 |
| TPSA | 588.18 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 216 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2981.22 |
| LogP ≤ 5 | 26.20 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 44 |