C169H180F10N38O21 — CID 159878519
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide (PubChem CID 159878519) has the molecular formula C169H180F10N38O21 and a molecular weight of 3269.52 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide |
|---|---|
| PubChem CID | 159878519 |
| Molecular Formula | C169H180F10N38O21 |
| Molecular Weight | 3269.52 g/mol |
| Exact Mass | 3267.40 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide |
| SMILES | CCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)n3)c2)ccn1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(C2CCOCC2)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(C2CCOCC2)c(=O)n(C)n1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ncc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1 |
| InChI | InChI=1S/C27H29N5O3.C26H29FN4O3.C24H26F2N6O3.C24H27FN6O3.C23H24F2N6O3.C23H23F2N5O3.C22H22F2N6O3/c1-17-5-6-20(30-25(33)19-7-10-29-24(13-19)27(2,3)16-28)14-21(17)23-15-22(26(34)32(4)31-23)18-8-11-35-12-9-18;1-16-5-6-19(29-24(32)18-7-10-28-23(13-18)26(2,3)27)14-20(16)22-15-21(25(33)31(4)30-22)17-8-11-34-12-9-17;1-4-24(25,26)21-11-16(5-6-27-21)22(33)29-17-12-18(15(2)28-14-17)19-13-20(23(34)31(3)30-19)32-7-9-35-10-8-32;1-15-18(19-13-20(23(33)30(4)29-19)31-7-9-34-10-8-31)12-17(14-27-15)28-22(32)16-5-6-26-21(11-16)24(2,3)25;1-14-17(18-12-19(22(33)30(3)29-18)31-6-8-34-9-7-31)11-16(13-27-14)28-21(32)15-4-5-26-20(10-15)23(2,24)25;1-14-18(19-12-20(23(32)29(2)28-19)30-6-8-33-9-7-30)11-17(13-26-14)27-22(31)16-5-3-4-15(10-16)21(24)25;1-13-16(17-11-19(22(32)29(2)28-17)30-5-7-33-8-6-30)10-15(12-26-13)27-21(31)14-3-4-25-18(9-14)20(23)24/h5-7,10,13-15,18H,8-9,11-12H2,1-4H3,(H,30,33);5-7,10,13-15,17H,8-9,11-12H2,1-4H3,(H,29,32);5-6,11-14H,4,7-10H2,1-3H3,(H,29,33);5-6,11-14H,7-10H2,1-4H3,(H,28,32);4-5,10-13H,6-9H2,1-3H3,(H,28,32);3-5,10-13,21H,6-9H2,1-2H3,(H,27,31);3-4,9-12,20H,5-8H2,1-2H3,(H,27,31) |
| InChIKey | NTFNOKQOMKRGEZ-UHFFFAOYSA-N |
| XLogP | 23.07 |
| TPSA | 694.32 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 238 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3269.52 |
| LogP ≤ 5 | 23.07 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 52 |