C168H177F11N32O22 — CID 157282373
3-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;3-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-[(2S)-oxolan-2-yl]acetamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 157282373) has the molecular formula C168H177F11N32O22 and a molecular weight of 3205.44 g/mol. Its IUPAC name is 3-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;3-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-[(2S)-oxolan-2-yl]acetamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | 3-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;3-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-[(2S)-oxolan-2-yl]acetamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 157282373 |
| Molecular Formula | C168H177F11N32O22 |
| Molecular Weight | 3205.44 g/mol |
| Exact Mass | 3203.35 |
| IUPAC Name | 3-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;3-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-[(2S)-oxolan-2-yl]acetamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | Cc1ncc(NC(=O)C[C@@H]2CCCO2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ncc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ncc(NC(=O)c2cccc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ncc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1 |
| InChI | InChI=1S/C27H29N5O3.C25H26F2N4O3.C24H25F2N5O3.C24H24F2N4O3.C23H22F3N5O3.C23H23F2N5O3.C22H28N4O4/c1-18-23(20-13-24(26(34)31(4)16-20)32-8-10-35-11-9-32)14-22(15-29-18)30-25(33)19-6-5-7-21(12-19)27(2,3)17-28;1-16-21(18-12-22(24(33)30(3)15-18)31-7-9-34-10-8-31)13-20(14-28-16)29-23(32)17-5-4-6-19(11-17)25(2,26)27;1-15-19(17-10-20(23(33)30(3)14-17)31-6-8-34-9-7-31)12-18(13-28-15)29-22(32)16-4-5-27-21(11-16)24(2,25)26;1-15-20(18-11-21(24(32)29(2)14-18)30-6-8-33-9-7-30)12-19(13-27-15)28-23(31)17-5-3-4-16(10-17)22(25)26;1-14-18(16-9-19(22(33)30(2)13-16)31-5-7-34-8-6-31)11-17(12-28-14)29-21(32)15-3-4-27-20(10-15)23(24,25)26;1-14-18(16-10-20(23(32)29(2)13-16)30-5-7-33-8-6-30)11-17(12-27-14)28-22(31)15-3-4-26-19(9-15)21(24)25;1-15-19(11-17(13-23-15)24-21(27)12-18-4-3-7-30-18)16-10-20(22(28)25(2)14-16)26-5-8-29-9-6-26/h5-7,12-16H,8-11H2,1-4H3,(H,30,33);4-6,11-15H,7-10H2,1-3H3,(H,29,32);4-5,10-14H,6-9H2,1-3H3,(H,29,32);3-5,10-14,22H,6-9H2,1-2H3,(H,28,31);3-4,9-13H,5-8H2,1-2H3,(H,29,32);3-4,9-13,21H,5-8H2,1-2H3,(H,28,31);10-11,13-14,18H,3-9,12H2,1-2H3,(H,24,27)/t;;;;;;18-/m......0/s1 |
| InChIKey | AZUWIDWLYBJHHF-QDSCHKEYSA-N |
| XLogP | 23.27 |
| TPSA | 606.91 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 233 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3205.44 |
| LogP ≤ 5 | 23.27 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 47 |