C148H142F6N42O12 — CID 159113885
N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-cyclopropylpyridazine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide (PubChem CID 159113885) has the molecular formula C148H142F6N42O12 and a molecular weight of 2815.03 g/mol. Its IUPAC name is N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-cyclopropylpyridazine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide.
| Compound Name | N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-cyclopropylpyridazine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide |
|---|---|
| PubChem CID | 159113885 |
| Molecular Formula | C148H142F6N42O12 |
| Molecular Weight | 2815.03 g/mol |
| Exact Mass | 2813.17 |
| IUPAC Name | N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-cyclopropylpyridazine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide |
| SMILES | CCn1cc(C(=O)Nc2cnc(C)c(-c3cnc(N4CC(C)(O)C4)c(C#N)c3)c2)cc(C(F)(F)F)c1=O.COCCNc1ncc(-c2cc(NC(=O)c3cnnc(C(C)(C)C#N)c3)ccc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3cnnc(C(C)(C)C#N)c3)cnc2C)cc1C#N.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ncc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1 |
| InChI | InChI=1S/C26H26N8O.C25H23F3N6O3.2C25H25N7O2.C24H24N8O2.C23H19F3N6O2/c1-17-4-5-21(32-25(35)20-11-23(33-31-15-20)26(2,3)16-28)12-22(17)19-10-18(13-27)24(30-14-19)34-8-6-29-7-9-34;1-4-33-11-17(6-20(23(33)36)25(26,27)28)22(35)32-18-7-19(14(2)30-10-18)16-5-15(8-29)21(31-9-16)34-12-24(3,37)13-34;1-15-22(18-8-17(11-26)24(28-12-18)30-20-4-6-34-7-5-20)10-21(14-27-15)31-25(33)19-9-23(16-2-3-16)32-29-13-19;1-16-5-6-20(31-24(33)19-10-22(32-30-14-19)25(2,3)15-27)11-21(16)18-9-17(12-26)23(29-13-18)28-7-8-34-4;1-15-20(17-7-16(10-25)22(29-11-17)27-5-6-34-4)9-19(13-28-15)31-23(33)18-8-21(32-30-12-18)24(2,3)14-26;1-13-3-4-17(30-21(33)16-6-19(23(24,25)26)31-29-10-16)7-18(13)15-5-14(8-27)20(28-9-15)32-11-22(2,34)12-32/h4-5,10-12,14-15,29H,6-9H2,1-3H3,(H,32,35);5-7,9-11,37H,4,12-13H2,1-3H3,(H,32,35);8-10,12-14,16,20H,2-7H2,1H3,(H,28,30)(H,31,33);5-6,9-11,13-14H,7-8H2,1-4H3,(H,28,29)(H,31,33);7-9,11-13H,5-6H2,1-4H3,(H,27,29)(H,31,33);3-7,9-10,34H,11-12H2,1-2H3,(H,30,33) |
| InChIKey | KEVLNKWFAJHOOC-UHFFFAOYSA-N |
| XLogP | 20.98 |
| TPSA | 781.61 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2815.03 |
| LogP ≤ 5 | 20.98 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 48 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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