C201H219F5N42O29S — CID 158202641
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridazine-4-carboxamide;2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 158202641) has the molecular formula C201H219F5N42O29S and a molecular weight of 3814.28 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridazine-4-carboxamide;2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridazine-4-carboxamide;2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide |
|---|---|
| PubChem CID | 158202641 |
| Molecular Formula | C201H219F5N42O29S |
| Molecular Weight | 3814.28 g/mol |
| Exact Mass | 3811.66 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridazine-4-carboxamide;2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide |
| SMILES | CCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)n3)c2)ccn1.CCc1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)n3)c2)ccn1.CCn1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)n3)c2)cc(C(F)(F)F)c1=O.Cc1ccc(NC(=O)c2cccc(-c3nnco3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ccc(NC(=O)c2cccc(C(C)(C)S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ccc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1 |
| InChI | InChI=1S/C27H32N4O5S.C26H28N6O3.C25H26F3N5O4.C25H27F2N5O3.C25H24N6O4.C25H29N5O4.C24H26N6O3.C24H27N5O3/c1-18-9-10-21(28-25(32)19-7-6-8-20(15-19)27(2,3)37(5,34)35)16-22(18)23-17-24(26(33)30(4)29-23)31-11-13-36-14-12-31;1-17-5-6-19(29-24(33)18-7-8-28-23(13-18)26(2,3)16-27)14-20(17)21-15-22(25(34)31(4)30-21)32-9-11-35-12-10-32;1-4-32-14-16(11-19(23(32)35)25(26,27)28)22(34)29-17-6-5-15(2)18(12-17)20-13-21(24(36)31(3)30-20)33-7-9-37-10-8-33;1-4-25(26,27)22-13-17(7-8-28-22)23(33)29-18-6-5-16(2)19(14-18)20-15-21(24(34)31(3)30-20)32-9-11-35-12-10-32;1-16-6-7-19(27-23(32)17-4-3-5-18(12-17)24-28-26-15-35-24)13-20(16)21-14-22(25(33)30(2)29-21)31-8-10-34-11-9-31;1-16-5-6-18(27-23(31)17-7-8-26-22(13-17)25(2,3)33)14-19(16)20-15-21(24(32)29(4)28-20)30-9-11-34-12-10-30;1-15-3-6-18(26-23(31)17-11-20(16-4-5-16)27-25-14-17)12-19(15)21-13-22(24(32)29(2)28-21)30-7-9-33-10-8-30;1-4-18-13-17(7-8-25-18)23(30)26-19-6-5-16(2)20(14-19)21-15-22(24(31)28(3)27-21)29-9-11-32-12-10-29/h6-10,15-17H,11-14H2,1-5H3,(H,28,32);5-8,13-15H,9-12H2,1-4H3,(H,29,33);5-6,11-14H,4,7-10H2,1-3H3,(H,29,34);5-8,13-15H,4,9-12H2,1-3H3,(H,29,33);3-7,12-15H,8-11H2,1-2H3,(H,27,32);5-8,13-15,33H,9-12H2,1-4H3,(H,27,31);3,6,11-14,16H,4-5,7-10H2,1-2H3,(H,26,31);5-8,13-15H,4,9-12H2,1-3H3,(H,26,30) |
| InChIKey | GBCVSQDRFIATNG-UHFFFAOYSA-N |
| XLogP | 23.63 |
| TPSA | 828.10 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 63 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 278 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3814.28 |
| LogP ≤ 5 | 23.63 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 63 |